C11H5n5o4 ANONOSIN, 2 '-O-METHYL- (7CI, 8CI, 8CI, Hekti)
Fas Registry Nummer
2140-79-6
| Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
| Molekular Gewiicht | 281.27 | - |
| Schmelzen Punkt (experimentell) | 204-206 ° C | - |
| Kachpunkt (virausgesot) | 623.8 ± 65.0 ° C | Press: 760 Torr |
| Dicht (virausgesot) | 1.84 ± 0,1 G / CM3 | Trëpp: 20 ° C; Press: 760 Torr |
| pka (virausgesot) | 13.13 ± 0.70 | Meescht sauer Tempo: 25 ° C |
Canonesch Laachen
Ok1oc (N2C = NC = 3c (= nc = nc32) n) c (oc) c1o
Isomeresch Laachen
O (c) [c @ h] 1 [c @ h] (n2c = 3c (n = c2) = c (n) n = cn3) (c @ h] 1 @
Inchi
Inchi = 1s / c11h15n54 / C2.111,14.14) / T5-, 7--9 (12-- (12) 13) 16 / H3-7-18h, 2h2h15N3, (18-113.14) / t5-, 7-- (12-
Inchi Schlëssel
Fpugcisolxnppc-ioslpccccs-n
2 aner Nimm fir dës Substanz
2 '- -O-Methyladonosin (ACI); Corysinin b
Eegeschafte verfügbar
Thermesch
| Prowalange | Wäert | Konditiounsquell |
| Schmëlzpunkt | 204-206 ° C | (1) Cas |
(1) Martinez-Montero, Saul; Europäesch Journal vun organeschen Chemie, (2009) (19), 3265-327, S3265 / 1-S3265 / 2 Joer
Spektre verfügbar
1 h nmr
13 c nmr
IR
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 | 1.78 | pH 5; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.97 | pH 6; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.99 | pH 7; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.99 | pH 8; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.99 | pH 9; Temp: 25 ° C | (1) ACD |
| Eegeschafte Wäert Zoustand |
| BIKOCONSRATIOUNSITIOUN 1.99 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 | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Kokéieren | 1.0 | pH 2; Temp: 25 ° C | (1) ACD |
| Kokéieren | 4.54 | pH 3; Temp: 25 ° C | (1) ACD |
| Kokéieren | 26.0,0 | pH 4; Temp: 25 ° C | (1) ACD |
| Kokéieren | 51.0,0 | pH 5; Temp: 25 ° C | (1) ACD |
| Kokéieren | 56.4 | pH 6; Temp: 25 ° C | (1) ACD |
| Kokéieren | 51. -0 | pH 7; Temp: 25 ° C | (1) ACD |
| Kokéieren | 57.1,1 | pH 8; Temp: 25 ° C | (1) ACD |
| Kokéieren | 57.1,1 | pH 9; Temp: 25 ° C | (1) ACD |
| Kokéieren | 51. -0 | pH 10; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | -1.70 | pH 1; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | -1.25 | pH 2; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | -0.40 | pH 3; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,36 | pH 4; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,65 | pH 5; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,69 | pH 6; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,770 | pH 7; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,770 | pH 8; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,770 | pH 9; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,770 | pH 10; Temp: 25 ° C | (1) ACD |
| AloggenO Aloggen | 0,697 ± 0,596 | Temp: 25 ° C | (1) ACD |
| Mass intrinsesch Solubilitéit | 3.7 g / l | Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 886 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 309 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 45 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 7.9 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 3.9 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 3.7 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 3.7 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Massebelibilitéit | 3.7 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 3.7 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 3.7 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 3.7 g / l | Ongebrach Waasser ph 8.07; Temp: 25 ° C | (1) ACD |
| Molar intrinsesch Solubilitéit | 0,013 MOL / L | Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 3.15 MOL / L | pH 1; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.10 MOL / L | pH 2; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 0,16 MOL / L | pH 3; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 0,028 MOL / L | pH 4; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 0,014 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 | Ongebrach Waasser ph 8.07; Temp: 25 ° C | (1) ACD |
| Molekular Gewiicht | 281.27 | ||
| paka | 13.13 ± 0.70 | Meescht sauer Tempo: 25 ° C | (1) ACD |
| paka | 3.82 ± 0,10 | Déi meescht Basis Tempo: 25 ° C | (1) ACD |
| Vapor Drock | 2.02 x 10-16 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 | 1.84 ± 0,1 G / CM3 | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar Volumen | 152.5 ± 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 | Konditiounsquell |
| Fräi rotativ Obligatiounen | 5 | (1) ACD |
| H Akzeptoren | 9 | (1) ACD |
| H Donateuren | 4 | (1) ACD |
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| H Spender / Acceptor Zomm | 13 | (1) ACD | |
| AloggenO Aloggen | 0,697 ± 0,596 | Temp: 25 ° C | (1) ACD |
| Molekular Gewiicht | 281.27 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
| Prowalange | Wäert | Konditiounsquell |
| Polarfläch | 129 A2 | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Kachendepunkt | 623.8 ± 65.0 ° C | Press: 760 Torr | (1) ACD |
| Enthalpie vu Vaporization | 97.11 ± 3.0 KJ / MOL | Press: 760 Torr | (1) ACD |
| Flash Point | 331.0 ± 34,3 ° 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 CODEN | Gefor Ausso | Quellatioun |
| H303 | Ka schiedlech sinn wann se geschluecht ginn | Expert gekämpft |
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