C10h12n2o5 6h-Furo [2 ', 3': 4.5] Oxazolo [3.2 - A] pyrimidin-6-Een, 9,3A-3--3 -7h12N12N2N2OL-
Fas Registry Nummer
22423-26-3
Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
Molekular Gewiicht | 240.21 | - |
Schmelzen Punkt (experimentell) | 218 ° C | Léisungsmëttel: Ethanol; Isopropanol |
Kachpunkt (virausgesot) | 452.0 ± 55,0 ° C | Press: 760 Torr |
Dicht (virausgesot) | 1.88 ± 0,1 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr |
pka (virausgesot) | 12,56 ± 0,60 | Meescht sauer Tempo: 25 ° C |
Canonesch Laachen
O = c1n = c2oc3c (o) c (oc3n2c = C1C) co
Isomeresch Laachen
O [C @ h] 1 [C @] 2 ([C @] (N3C (O2) = NC (= O) C (C) (H] (H] [H]
Inchi
Inchi = 1s / c10h12n24 / C1-4-2-12------ (14) 5) 16-9) 17-9) 11-8,91h1h3h, 3 / H2H1H3-11-7-1h3 / T5-, 6-
Inchi Schlëssel
WLLOAAUCNUMYYOQI-Jagxhnfqsqs-n
17 aner Nimm fir dës Substanz
(2R,3 R, 3aS, 9aR) -2,3,30.3a, 9a-tetrahaft-3-Hydroxy-2- (Hydroxymyphyl)-methyl-6H-Furo [2 ', 3': 4.5] Oxazolo [3,2-a] pyrimidin-6-een (ACI);
6H-Furo [2 ', 3': 4.5] Oxazolo [3,2-a] pyrimidin-6-een, 2.3.3a, 9a-tetrahydro-3-Hydroxy-2- (hydroyymypyl)-mci) (6ci); 6H-Furo
[2 ', 3': 4.5] Oxazolo [3,2-a] pyrimidin-6-een, 2.3.3a, 9a-tetrahydro-3-Hydroxy-2- (Hydroxymyphyl)-methyl-, [2R- (2, 2α, 3β, 3aβ, 9aβ)] - (Zci);
11: PN: US2004001469999 Page: 18 behaapt DNA; 12: D'US2004400056565 Säit: 17- 22 huet den DNA gewisen. 12: SN: US200400055550 Säit: 18 Erklärung DNA; 12: D'US2004000029 Säit: 21 Reklammen, 12: D'US20040011151 Säit: 21 Fuerdere Daier ass zougaang; 1: PN: WO20050 06958 Säit: 59 behaapt DNA; 2.2 '' -anyrol (1- β -D-arabinofuryenyl) - 5-Methylufil; 3: PN: WO2005007825 Page: 59 behaapt DNA; 84: PN: D'US20040005003537t: 18 behaapt DNA; 9: Pn: US200400144048 Page: 19 behaapt DNA; 9: PN: US200400144049 Säit: 19
behaapt DNA;O2,2 '- -anydro-5 Methyluridine; O2.2 '-anydro-5-Methyluridine; Tk 112690
Eegeschafte verfügbar
Thermesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Schmëlzpunkt | 240-242 ° C | (1) Cas | |
Schmëlzpunkt | 218 ° C | Léisungsmëttel: Ethanol; Isopropanol | (2) Cas |
Schmëlzpunkt | Gesinn voll Text | (3) Cas | |
Schmëlzpunkt | Gesinn voll Text | (4) Cas |
(1) Oliveira, marallise p.; Journal vun der brasilianescher chemesche Gesellschaft, (2015), 26 (4), 836--821, Capplang
(2) Takatsuki, Ken-Iichi; Nucleods, Canleotiden & Käre-Säuren, (2006), 25 (7), 719-734, Capplang
(3) Manoaran, Muthaih; US20030088079, A1, 2003, CAPPUS
(4) Mirraglia, loren j.; WO2003048315, A2, 2003, CAPPUS
Spektre verfügbar
1 h nmr
13 c nmr
Hetero nmr
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 | 12,9 | pH 1; Temp: 25 ° C | (1) ACD |
Kokéieren | 12,9 | pH 2; Temp: 25 ° C | (1) ACD |
Kokéieren | 12,9 | pH 3; Temp: 25 ° C | (1) ACD |
Kokéieren | 12,9 | pH 4; Temp: 25 ° C | (1) ACD |
Kokéieren | 12,9 | pH 5; Temp: 25 ° C | (1) ACD |
Kokéieren | 12,9 | pH 6; Temp: 25 ° C | (1) ACD |
Kokéieren | 12,9 | pH 7; Temp: 25 ° C | (1) ACD |
Kokéieren | 12,9 | pH 8; Temp: 25 ° C | (1) ACD |
Kokéieren | 12,9 | pH 9; Temp: 25 ° C | (1) ACD |
Kokéieren | 12,9 | ph 10; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.49 | pH 1; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.49 | pH 2; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.49 | pH 3; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.49 | pH 4; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.49 | pH 5; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.49 | pH 6; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.49 | pH 7; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.49 | pH 8; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.49 | pH 9; Temp: 25 ° C | (1) ACD |
Aloggenlogt | -0.49 | ph 10; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
AloggenO Aloggen | -0.491 ± 0,556 | Temp: 25 ° C | (1) ACD |
Mass intrinsesch Solubilitéit | 3.1 g / l | Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 g / l | UNBUFFERERT WATER PH 694; Temp: 25 ° C | (1) ACD |
Molar intrinsesch Solubilitéit | 0,013 MOL / L | Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,013 MOL / L | pH 1; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,013 MOL / L | pH 2; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,013 MOL / L | pH 3; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,013 MOL / L | pH 4; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,013 MOL / L | pH 5; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,013 MOL / L | pH 6; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,013 MOL / L | pH 7; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,013 MOL / L | pH 8; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,013 MOL / L | pH 9; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,013 MOL / L | ph 10; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 0,013 MOL / L | UNBUFFERERT WATER PH 694; Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 240.21 | ||
paka | 12,56 ± 0,60 | Meescht sauer Tempo: 25 ° C | (1) ACD |
paka | -4.36 ± 0,60 | Déi meescht Basis Tempo: 25 ° C | (1) ACD |
Vapor Drock | 4.54 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 | 1.88 ± 0,1 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volumen | 127.5 ± 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 | -0.491 ± 0,556 | Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 240.21 |
(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 | 452.0 ± 55,0 ° C | Press: 760 Torr | (1) ACD |
Enthalpie vu Vaporization | 82.04 ± 6.0 kj / mol | Press: 760 Torr | (1) ACD |
Flash Point | 227.2 ± 31.5 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Spektre verfügbar ⁿ
1 h nmr
13 c nmr