C33H39n5o6 L-Ornithinamide, N - [(9h-Flucren-9-ylmethoxy) Carbonyl] -l-valyl-N5- (Aminos- (Hydroxh39nthyl) Phenyl] - (9-ylmethoxy) Carbonyl]
Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
Molekular Gewiicht | 601,69 | - |
Kachpunkt (virausgesot) | 914.2 ± 65.0 ° C | Press: 760 Torr |
Dicht (virausgesot) | 1.276 ± 0,06 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr |
pka (virausgesot) | 10.63 ± 0.46 | Meescht sauer Tempo: 25 ° C |
Canonical Laachen O = C (Ok1C = 2C = CC = CC2C = 3C = CC = CC31) NC (= O) CC (CC4) CC (CC4) CC (CC4) CC4 (CC4) CC
ISOMRY SMILES C (C) C) = O) C2C = 3C (C = 4C2 = CC = CC4) = CC3) = O) CC3) = O) CC3) = O) CC3) = O) CC3) = O) CC3) = O) CCTA
Inchi
Inchi = 1s / C33H39n5o6 / C1-20 (2) 29-33 (43-19-27-19-27-17-8-27- (25) 37 32,40) 42) 30 (40) 36-22-13,41 (18-39) (H, 38.43,27)
5.42) / T28-, 29- / M0 / S1
Inchi Schlëssel
Dalmazhdncdrp-vmprefpwsa-n
1 aneren Numm fir dës Substanz
N - [(9h-Gluener-9-Ylmethoxy) Carbonyl] -l-vall-n5- (Aminocarbonyl) -n- [Hydroxlthyl)
Spektre verfügbar
1h nmr
13c nmr
Eegeschafte verfügbar |
Biologesch |
Chemeschen |
Dicht |
Lipinski |
Struktur verbonnen |
Thermesch |
Biologesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
BIKOCONSENTRATIOUN FIELD | 809 | pH 1; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 912 | pH 2; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 923 | pH 3; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 924 | pH 4; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 924 | pH 5; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 924 | pH 6; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 924 | pH 7; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 922 | pH 8; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 9033 | pH 9; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 750 | 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 | 4040 | pH 1; Temp: 25 ° C | (1) ACD |
Kokéieren | 4550 | pH 2; Temp: 25 ° C | (1) ACD |
Kokéieren | 460 | pH 3; Temp: 25 ° C | (1) ACD |
Kokéieren | 4620 | pH 4; Temp: 25 ° C | (1) ACD |
Kokéieren | 4620 | pH 5; Temp: 25 ° C | (1) ACD |
Kokéieren | 4620 | pH 6; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Kokéieren | 4620 | pH 7; Temp: 25 ° C | (1) ACD |
Kokéieren | 460 | pH 8; Temp: 25 ° C | (1) ACD |
Kokéieren | 45-4/ | pH 9; Temp: 25 ° C | (1) ACD |
Kokéieren | 37040 | ph 10; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.15 | pH 1; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.20 | pH 2; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.20 | pH 3; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.20 | pH 4; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.21 | pH 5; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.21 | pH 6; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.20 | pH 7; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.20 | pH 8; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.19 | pH 9; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.11 | ph 10; Temp: 25 ° C | (1) ACD |
AloggenO Aloggen | 4.206 ± 0,767 | Temp: 25 ° C | (1) ACD |
Mass intrinsesch Solubilitéit | 1,7 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 2.0 x 10-4 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1,7 x 10-4 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1,7 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1,7 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1,7 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1,7 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1,7 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1,7 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1,7 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 2.1 x 10-4 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1,7 x 10-4 g / l | Ongebrach Waasser ph 7.00; Temp: 25 ° C | (1) ACD |
Molar intrinsesch Solubilitéit | 2.9 x 10-7 MOL / L | Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 3.3 x 10-7 MOL / L | pH 1; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.9 x 10-7 MOL / L | pH 2; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.9 x 10-7 MOL / L | pH 3; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.9 x 10-7 MOL / L | pH 4; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Molar sublabilitéit | 2.9 x 10-7 MOL / L | pH 5; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.9 x 10-7 MOL / L | pH 6; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.9 x 10-7 MOL / L | pH 7; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.9 x 10-7 MOL / L | pH 8; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.9 x 10-7 MOL / L | pH 9; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 3.5 x 10-7 MOL / L | ph 10; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.9 x 10-7 MOL / L | Ongebrach Waasser ph 7.00; Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 601,69 | ||
paka | 10.63 ± 0.46 | Meescht sauer Tempo: 25 ° C | (1) ACD |
paka | 0,13 ± 0,50 | Déi meescht Basis Tempo: 25 ° C | (1) ACD |
Vapor Drock | 0 Torr | Temp: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Dicht
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Dicht | 1.276 ± 0,06 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volumen | 471.2 ± 3,0 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 | 11 | (1) ACD | |
H Donateuren | 7 | (1) ACD | |
H Spender / Acceptor Zomm | 18 | (1) ACD | |
AloggenO Aloggen | 4.206 ± 0,767 | Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 601,69 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Struktur verbonnen
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Polarfläch | 172 A2 | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Thermesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Kachendepunkt | 914.2 ± 65.0 ° C | Press: 760 Torr | (1) ACD |
Enthalpie vu Vaporization | 139.25 ± 3.0 KJ / MOL | Press: 760 Torr | (1) ACD |
Flash Point | 506.7 ± 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