C41h41n5o8 ANOOSIN, N-Benzoyl-5'-O- Ow (4-Methodyphyl) Phenylmthyl] - 2 -2'-
Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
Molekular Gewiicht | 731.79 | - |
Schmelzen Punkt (experimentell) | 119-121 ° C | - |
Dicht (virausgesot) | 1.31 ± 0,1 G / CM3 | Trëpp: 20 ° C; Press: 760 Torr |
pka (virausgesot) | 7.87 ± 0,43 | Meescht sauer Tempo: 25 ° C |
Canonesch Laachen O = C (NC1 = NC2 = C1N = CN2C3C (CC = 4C = CC = CC4) C = CCA = CC = CC = CC = CC = CC = CC = OCC = CC = CC = CC = CCONEAKT LAILES O = CC1 = C1N = CN2C3C (CC = CC = CC = CC4) C6 = CCA = CC1 = CC1 = CC = CC = CC = CC1
Isomeresch Laachen
C (oc [c @ h] 1o [cc = cc = c @ h] (cmcoc) (c6 = cc = cc = 3c = 3c = 3c = N / NC = CC = C4) N = CN3) (CC = C @
= C6) C7 = CC = CC = C7
Inchi
Inchi = 1s / c41h4n5o8 / C1-49-23-52-36-35 (470.00) 24-53 (360.00 36003333333338 (34-25-38 (34) 46) 41(28-12-8-5-9-13-28,29-14-18-31(50-2)19-15-29)30-16-20-32(51-3)21-17-30/h4-21,25-26,33,35-36,40,47H,22-24H2,1-3H3, (H,42,43,45,48)/t33-,35-,36-,40-/m1/s1
Inchi Schlëssel
KevmxgndTKPSMC-mumpvvmasa-n
16 aner Nimm fir dës Substanz
N-bozoyl-5'-o- [4-contorycyphonel) Phenylylyl] -2' -2'-O- (2-Methoctylyl) ACOOsin); Aoner 17: Pn: US20030211606 Page: 19 verdeedegt Sequenz; 18: Fir 12.00040040005569 Säit: 22 fuerdere Sequenz; 20: Pn: US20040006030 Page: 23 behaapt Sequenz; 20: Pn: US200400140447 Page: 21 verdeedegt Sequenz; 20: Pn: US200400144049 Säit: 21 verdeedegt Sequenz; 21: PN: US20040005570 Pag
E: 20 behaapt Sequenz; 21: PN: US200400144048 Säit: 21 verdeedegte Sequenz; 21: PN: US20040014050 Page: 20 behaapt Sequenz; 22: D'US2004000556565 Page: 17- 22 verdeedegt Sequenz; 22: pn: US2004001140516 Page: 23 behaapt Sequenz; 23: PN: US20040 014699 Page: 20 behaapt Sequenz; 24: D'US2004000029 Säit: 23 Verwaltung ass et geleet ginn. 24: Pn: Wo0336645 Page: 73 behaapt Sequenz; 5'-Dimethoxytatity-2'-O- (2-Mountyl) -N6-bozyl Anoosin; 95: PN: US20040005707 Säit: 20 behaapt Sequenz
Eegeschafte verfügbar |
Thermesch |
Thermesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Schmëlzpunkt | 119-121 ° C | (1) Cas |
(1) Penjarla, srishylam; Nukleods, Canleotiden & Käre-Säuren, (2018), 37 (4), 232-247, Capplangus
Spektre verfügbar
1h nmr
13c nmr
Eegeschafte verfügbar |
Biologesch |
Chemeschen |
Dicht |
Lipinski |
Struktur verbonnen |
Biologesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
BIKOCONSENTRATIOUN FIELD | 31700 | pH 1; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.08 x 105 | pH 2; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.43 X 105 | pH 3; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.48 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.48 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.45 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.19 X 105 | pH 7; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 43000 | pH 8; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 70550 | pH 9; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
BIKOCONSENTRATIOUN FIELD | 2060 | ph 10; Temp: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Chemeschen
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Kokéieren | 374400 | pH 1; Temp: 25 ° C | (1) ACD |
Kokéieren | 1.28 X 105 | pH 2; Temp: 25 ° C | (1) ACD |
Kokéieren | 1.69 X 105 | pH 3; Temp: 25 ° C | (1) ACD |
Kokéieren | 1,74 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
Kokéieren | 1,74 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
Kokéieren | 1.71 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
Kokéieren | 1.40 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
Kokéieren | 50700 | pH 8; Temp: 25 ° C | (1) ACD |
Kokéieren | 8,320 | pH 9; Temp: 25 ° C | (1) ACD |
Kokéieren | 24h30 | ph 10; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 6.44 | pH 1; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 6.97 | pH 2; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 7.09 | pH 3; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 7.11 | pH 4; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 7.11 | pH 5; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 7.10 | pH 6; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 7.01 | pH 7; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 6.57 | pH 8; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 5.78 | pH 9; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 5,25 | ph 10; Temp: 25 ° C | (1) ACD |
AloggenO Aloggen | 7.109 ± 0.766 | Temp: 25 ° C | (1) ACD |
Mass intrinsesch Solubilitéit | 5.6 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 2.6 x 10-5 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 7.3 x 10-6 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 5.8 x 10-6 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 5.6 x 10-6 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 5.6 x 10-6 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 5.7 x 10-6 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 7.0 x 10-6 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Massebelibilitéit | 1.9 X 10-5 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.2 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 4.0 x 10-4 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 7.0 x 10-6 g / l | Ongebrach Waasser ph 7.00; Temp: 25 ° C | (1) ACD |
Molar intrinsesch Solubilitéit | 7.6 x 10-9 MOL / L | Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 3.6 x 10-8 MOL / L | pH 1; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.0 x 10-8 MOL / L | pH 2; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 7.9 X 10-9 MOL / L | pH 3; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 7.7 x 10-9 MOL / L | pH 4; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 7.7 x 10-9 MOL / L | pH 5; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 7.8 X 10-9 MOL / L | pH 6; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 9.6 X 10-9 MOL / L | pH 7; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.6 X 10-8 MOL / L | pH 8; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.6 X 10-7 MOL / L | pH 9; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 5.5 x 10-7 MOL / L | ph 10; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 9.5 x 10-9 MOL / L | Ongebrach Waasser ph 7.00; Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 731.79 | ||
paka | 7.87 ± 0,43 | Meescht sauer Tempo: 25 ° C | (1) ACD |
paka | 1.39 ± 0,10 | Déi meescht Basis Tempo: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Dicht
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Dicht | 1.31 ± 0,1 G / CM3 | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volumen | 556.9 ± 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)
Lipinski
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Fräi rotativ Obligatiounen | 15 | (1) ACD | |
H Akzeptoren | 13 | (1) ACD | |
H Donateuren | 2 | (1) ACD | |
H Spender / Acceptor Zomm | 15 | (1) ACD | |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
AloggenO Aloggen | 7.109 ± 0.766 | Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 731.79 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Struktur verbonnen
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Polarfläch | 148 A2 | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Spektre verfügbar
1h nmr
13c nmr