C9h10n2o5 6H-Furo [2 ', 3': 4.5] - (9,2-A] ACIDin)
Fas Registry Nummer
3736-77-4
Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
Molekular Gewiicht | 226.19 | - |
Schmelzen Punkt (experimentell) | 234-235 ° C | - |
Kachpunkt (virausgesot) | 456.3 ± 55,0 ° C | Press: 760 Torr |
Dicht (virausgesot) | 2.01 ± 0,1 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr |
pka (virausgesot) | 12,55 ± 0,40 | Meescht sauer Tempo: 25 ° C |
Canonesch Laachen
O = c1n = c2oc3c (o) c (oc3n2c = C1) co
Isomeresch Laachen
O [C @ h] 1 [c @] 2 ([c @] (n3c (o2) = nc (= o) c = c3) [H] [H] [H]
Inchi
Inchi = 1s / c9h10n2o5 / C12-3- (14) 7-8 (15-4) 11-2-1-5 (13-9 (11-7h / H18,14 / T1-, 7- / M1 / M1 / M1 / M1 / M1.
Inchi Schlëssel
Uugitdaswnagg-ccxzuqqusa-n
13 aner Nimm fir dës Substanz
(A] Pyrimidin-6 -2,30.3A, 9A-Tetrahydrohaft-3-Hydroxy-2- (Hydroxymyphyl) OxazoL) Oxazolo [3,2 - A] PYrimidin-6 -.3A, 9a-tetrahaft-3-Hydroxy-2- (Hydroxymyphyl) OxazoL) Oxazolo [3.2-A] Pegrijidi 6h-Furo [2 ', 3': 4.5] Oxazolo [3.2-a] Pyrimidin-6-One, 2.3a, 9A-Tetrahyhymathylypyl); 6h-Furo, 9aβ) Oxazolo [3.2-a] Pyrimidin-6-One, 2,3A, 9A-Tetrahyhymyhymyhylylylylathylypyl 6h-Furo [2 ', 3': 4.5] Oxazolo [3.2-a]
PYrimidin-6-One, 2.3.3a, 9a-tetrahydro-3-Hydroxy-2- (Hydroxymypyl) -, Stereoiser (8ci); 2,2 '-anyrol (1- β -D-arabinofuraonsyl) uracil; 2,2 '' -anhydro-1- β -D-Arabina-Furnosylusyclacil; 2,2 '-anhydro-n1- (β -D-arabinofuraonsyl) uracil; 2,2 '-anydrouridin; 2,2 '-O-Cyclouridine; NSC 157148; O2.2 '-anyrouridine; O2.2 '-cycloridine; β -D-2 ', 2-O-Cyclobinabinidine
Eegeschafte verfügbar
Optesch a skattering
Thermesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Optesch Wuerzelkraaft | -19 DG | Léisungsmëttel: Methanol; λ: 589.3 nm; Temp: 26 ° C | (1) Cas |
(1) Codington, John F.; Journal vun der amerikanescher Chemikalescher Gesellschaft, (1961), 83, 5030-1, Cappus
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Schmëlzpunkt | 250-253 ° C | (1) Cas | |
Schmëlzpunkt | 246 ° C | Léisungsmëttel: Ethanol; Isopropanol | (2) Cas |
Schmëlzpunkt | 242-245 ° C | (3) Cas | |
Schmëlzpunkt | 242-243 ° C | (4) Cas | |
Schmëlzpunkt | 236-238 ° C (Decomp) | (5) Cas | |
Schmëlzpunkt | 234 ° C | (6) Cas | |
Schmëlzpunkt | 234-235 ° C | (7) Cas | |
Schmëlzpunkt | 233-234 ° C (Decomp) | Léisungsmëttel: Methanol | (8) Cas |
Schmëlzpunkt | Gesinn voll Text | (9) Cas |
(1) Lin, kun-i.; Journal vun der chinesescher chemescher Gesellschaft (Taipei, Taiwan), (2007), 54 (2), 56-5-568, CAPTUS
(2) Takatsuki, Ken-Iichi; Nucleods, Canleotiden & Käre-Säuren, (2006), 25 (7), 719-734, Capplang
(3) wnuk, stanislaw f.; Journal vun organeschen Chimie, (2002), 67 (6), 1816-1819, Cappus
(4) Szdlenier, Maurycy; Nukleods, Canleotiden & Käreachs, (2016), 35 (8), 410-425, Capplang
(5) Marumoto, ryuji; TACDA Kenyusho Nenpo, (1967), 26, 21-3, Cappus
(6) Krizmanesch, Irena; Tetrahedron, (2003), 59 (23), 4047-4057, Cappus
(7) brong, dm; Journal vun der chemescher Gesellschaft, (1958), 3035-8, Capplang
(8) LI, HELE; Synthetescht Kommunikatioun, (2006), 36 (14), 1933-1940, Cappus
(9) Codington, John F.; Journal vun der amerikanescher Chemikalescher Gesellschaft, (1961), 83, 5030-1, Cappus
Spektre verfügbar
1 h nmr
13 c nmr
IR
Spektre verfügbar
Mass vun Mass
Eegeschafte verfügbar
Biologesch
Chemeschen
Dicht
Lipinski
Struktur verbonnen
Thermesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
BIKOCONSENTRATIOUN FIELD | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.0 | pH 2; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.0 | pH 8; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.0 | ph 10; Temp: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Kokéieren | 7.666 | pH 1; Temp: 25 ° C | (1) ACD |
Kokéieren | 7.666 | pH 2; Temp: 25 ° C | (1) ACD |
Kokéieren | 7.666 | pH 3; Temp: 25 ° C | (1) ACD |
Kokéieren | 7.666 | pH 4; Temp: 25 ° C | (1) ACD |
Kokéieren | 7.666 | pH 5; Temp: 25 ° C | (1) ACD |
Kokéieren | 7.666 | pH 6; Temp: 25 ° C | (1) ACD |
Kokéieren | 7.666 | pH 7; Temp: 25 ° C | (1) ACD |
Kokéieren | 7.666 | pH 8; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Kokéieren | 7.666 | pH 9; Temp: 25 ° C | (1) ACD |
Kokéieren | 7.64 | ph 10; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.91 | pH 1; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.91 | pH 2; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.91 | pH 3; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.91 | pH 4; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.91 | pH 5; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.91 | pH 6; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.91 | pH 7; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.91 | pH 8; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.91 | pH 9; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.91 | ph 10; Temp: 25 ° C | (1) ACD |
AloggenO Aloggen | -0,906 ± 0,555 | Temp: 25 ° C | (1) ACD |
Mass intrinsesch Solubilitéit | 4.7 g / l | Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 4.7 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 4.7 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 4.7 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 4.7 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 4.7 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 4.7 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 4.7 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 4.7 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 4.7 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 4.7 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 4.7 g / l | Unbuffed Waasser ph 6.91; Temp: 25 ° C | (1) ACD |
Molar intrinsesch Solubilitéit | 0,021 MOL / L | Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,021 MOL / L | pH 1; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,021 MOL / L | pH 2; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,021 MOL / L | pH 3; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,021 MOL / L | pH 4; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,021 MOL / L | pH 5; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,021 MOL / L | pH 6; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Molar sublabilitéit | 0,021 MOL / L | pH 7; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,021 MOL / L | pH 8; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,021 MOL / L | pH 9; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,021 MOL / L | ph 10; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,021 MOL / L | Unbuffed Waasser ph 6.91; Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 226.19 | ||
paka | 12,55 ± 0,40 | Meescht sauer Tempo: 25 ° C | (1) ACD |
paka | -4.68 ± 0,60 | Déi meescht Basis Tempo: 25 ° C | (1) ACD |
Vapor Drock | 3.04 x 10-10 Torr | Temp: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Dicht | 2.01 ± 0,1 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volumen | 112.3 ± 7.0 cm3 / Mol | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Fräi rotativ Obligatiounen | 3 | (1) ACD | |
H Akzeptoren | 7 | (1) ACD | |
H Donateuren | 2 | (1) ACD | |
H Spender / Acceptor Zomm | 9 | (1) ACD | |
AloggenO Aloggen | -0,906 ± 0,555 | Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 226.19 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Prowalange | Wäert | Konditiounsquell |
Polarfläch | 91.6 A2 | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Kachendepunkt | 456.3 ± 55,0 ° C | Press: 760 Torr | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Enthalpie vu Vaporization | 82.62 ± 6.0 KJ / MOL | Press: 760 Torr | (1) ACD |
Flash Point | 229.8 ± 31.5 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Spektre verfügbar
1 h nmr
13 c nmr
Code Ausrüstung Ausso Quell | |
H302 schiedlech wann geschluecht | Europäesch Chicier Agentur (Echa) Klassifikatioun & Laboring Inventaire - Notéiert Klassifikatioun an d'Label - déi meescht allgemeng Notifikatiounen, Europäesch Chicier Agentur (Echa) Klassifikatioun & Laboring Inventar - Notéiert Klassifikatioun an de Label - déi schlëmm Notifikatiounen |