C13h19n5o5 ANONOsine, 2 '-o- (2-Methohyethyl) - (9ci, Aci)
Fas Registry Nummer
168427-74-5
| Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
| Molekular Gewiicht | 325.32 | - |
| Kachpunkt (virausgesot) | 63.09.0 ± 65,0 ° C | Press: 760 Torr |
| Dicht (virausgesot) | 1.70 ± 0,1 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr |
| pka (virausgesot) | 13.12 ± 0.70 | Meescht sauer Tempo: 25 ° C |
Canonesch Laachen
Ok1oc (N2C = nc = 3c (= nc = nc32) n) c (Occacc) C1o) C1o
Isomeresch Laachen
O (CCCO) [C @
Inchi
Inchi = 1s / C13h19N5o5 / C1-21-20-22-10-9 (20) 7 (4-19) 18-6-17-8-17,10.18-11,10.10.10.10.10.10.13,1,1,9-11,1,9-111 = 1-6-11,1,9-11,1,9-11,9-11,1,1/10- = 1s = 1 C13h115 / C1-21-25-25--10-9 (20) 7) 23-13 (10-61-17-10.18-11- (H2,14,15,16) / t7-, 9-, 10-, 13- / M1 / S1
Inchi Schlëssel
Pudxujrjlrliu-qyvstxnsa-n
1 aneren Numm fir dës Substanz
2 '- -O- (2-Joretyyethyl) ANOONIN (ACI)
Spektre verfügbar
1 h nmr
13 c nmr
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 | 1.18 | pH 5; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.31 | pH 6; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.32 | pH 7; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.32 | pH 8; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.32 | pH 9; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.32 | 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 | 3.39 | pH 3; Temp: 25 ° C | (1) ACD |
| Kokéieren | 19.4 | pH 4; Temp: 25 ° C | (1) ACD |
| Kokéieren | 8. n8.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Kokéieren | 8.0,0 | pH 6; Temp: 25 ° C | (1) ACD |
| Kokéieren | 42.5 | pH 7; Temp: 25 ° C | (1) ACD |
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Kokéieren | 42.5 | pH 8; Temp: 25 ° C | (1) ACD |
| Kokéieren | 42.5 | pH 9; Temp: 25 ° C | (1) ACD |
| Kokéieren | 42.5 | ph 10; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | -1.94 | pH 1; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | -1,48 | pH 2; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | -0.64 | pH 3; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,12 | pH 4; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,41 | pH 5; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,46 | pH 6; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,46 | pH 7; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,46 | pH 8; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,46 | pH 9; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,46 | ph 10; Temp: 25 ° C | (1) ACD |
| AloggenO Aloggen | 0,462 ± 0,647 | Temp: 25 ° C | (1) ACD |
| Mass intrinsesch Solubilitéit | 4,2 g / l | Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 999 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 381 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 55 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 9.4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 4.9 G / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 4,2 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 4,2 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 4,2 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 4,2 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 4,2 g / l | ph 10; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 4,2 g / l | Ongebonnen Waasser ph 8.08; Temp: 25 ° C | (1) ACD |
| Molar intrinsesch Solubilitéit | 0,013 MOL / L | Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 3.07 MOL / L | pH 1; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.17 MOL / L | pH 2; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 0,17 MOL / L | pH 3; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 0,029 Mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 0,015 MOL / L | pH 5; Temp: 25 ° C | (1) ACD |
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| 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 | Ongebonnen Waasser ph 8.08; Temp: 25 ° C | (1) ACD |
| Molekular Gewiicht | 325.32 | ||
| paka | 13.12 ± 0.70 | Meescht sauer Tempo: 25 ° C | (1) ACD |
| paka | 3.82 ± 0,10 | Déi meescht Basis Tempo: 25 ° C | (1) ACD |
| Vapor Drock | 3.35 x 10-17 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 | 1.70 ± 0,1 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar Volumen | 191.2 ± 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 | 8 | (1) ACD | |
| H Akzeptoren | 10 | (1) ACD | |
| H Donateuren | 4 | (1) ACD | |
| H Spender / Acceptor Zomm | 14 | (1) ACD | |
| AloggenO Aloggen | 0,462 ± 0,647 | Temp: 25 ° C | (1) ACD |
| Molekular Gewiicht | 325.32 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
| Prowalange | Wäert | Konditiounsquell |
| Polarfläch | 138 A2 | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Kachendepunkt | 63.09.0 ± 65,0 ° C | Press: 760 Torr | (1) ACD |
| Enthalpie vu Vaporization | 99.17 ± 3.0 KJ / MOL | Press: 760 Torr | (1) ACD |
| Flash Point | 340,2 ± 34,3 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Spektre verfügbar
1h nmr
13c nmr
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