C38h49no7 1- Pyrrrodedodecanoicsäure, 2- [[CO (4-Methodyphyl) Phenylm Ihoxy] -4-Hosixy-, (2-Hosixy-
Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
Molekular Gewiicht | 631.80 | - |
Kachpunkt (virausgesot) | 779.4 ± 60.0 ° C | Press: 760 Torr |
Dicht (virausgesot) | 1.154 ± 0.06 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr |
pka (virausgesot) | 4.78 ± 0,10 | Meescht sauer Tempo: 25 ° C |
Canonical Laachen O = C (O) CCCCCCCCC (= O) N1CC (O) CC1COC (C = 2C = CC = CC2) CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CCONI
Isomerresch Laachen C = C3) C4 = CCCCCCCCC (O) = C4
Inchi
Inchi = 1S / C38H49N7 / C19-29-32-26-33 (40) 27-14- (32-15-15-290.9-29-201- (45-290) 25-21-31h 36(41)16-12-7-5-3-4-6-8-13-17-37(42)43/h9-11,14-15,18-25,32-33,40H,3-8,12-13,16-17,26-28H2,1-2H3,(H,42,43)/t32-,33+/m0/s1
Inchi Schlëssel
Ceissmddxadbel-jhusysjsa-n
1 aneren Numm fir dës Substanz
(2s, 4R) -2 - [
Eegeschafte verfügbar |
Biologesch |
Chemeschen |
Dicht |
Lipinski |
Struktur verbonnen |
Thermesch |
Biologesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
BIKOCONSENTRATIOUN FIELD | 2.46 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 2.46 x 105 | pH 2; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 2.42 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 2.11 X 105 | pH 4; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 92400 | pH 5; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 14.000 | pH 6; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1510 | pH 7; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 82 Mëtt | pH 8; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 58.6 | pH 9; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 45.3 | 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 | 2.52 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
Kokéieren | 2.51 x 105 | pH 2; Temp: 25 ° C | (1) ACD |
Kokéieren | 2.47 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
Kokéieren | 2.16 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
Kokéieren | 94500 | pH 5; Temp: 25 ° C | (1) ACD |
Kokéieren | 14300 | pH 6; Temp: 25 ° C | (1) ACD |
Kokéieren | 1550 | pH 7; Temp: 25 ° C | (1) ACD |
Kokéieren | 196 | pH 8; Temp: 25 ° C | (1) ACD |
Kokéieren | 59.9 | pH 9; Temp: 25 ° C | (1) ACD |
Kokéieren | 46.3 | ph 10; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 7.40 | pH 1; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Aloggenlogt | 7.40 | pH 2; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 7.39 | pH 3; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 7.33 | pH 4; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 6.97 | pH 5; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 6.15 | pH 6; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 5.19 | pH 7; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.29 | pH 8; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.77 | pH 9; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.66 | ph 10; Temp: 25 ° C | (1) ACD |
AloggenO Aloggen | 7.397 ± 0,598 | Temp: 25 ° C | (1) ACD |
Mass intrinsesch Solubilitéit | 1.3 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.3 x 10-4 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.3 x 10-4 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.3 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1,5 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.5 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 2.3 x 10-3 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,021 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,17 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,55 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,69 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.3 x 10-3 g / l | Ubuffed Waasser PH 5.73; Temp: 25 ° C | (1) ACD |
Molar intrinsesch Solubilitéit | 2.1 x 10-7 MOL / L | Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.1 x 10-7 MOL / L | pH 1; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.1 x 10-7 MOL / L | pH 2; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.1 x 10-7 MOL / L | pH 3; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.4 x 10-7 MOL / L | pH 4; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 5.5 x 10-7 MOL / L | pH 5; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 3.6 x 10-6 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 3.4 x 10-5 MOL / L | pH 7; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2,7 x 10-4 Mol / l | pH 8; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 8.7 x 10-4 MOL / L | pH 9; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Molar sublabilitéit | 1.1 x 10-3 Mol / l | ph 10; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.1 x 10-6 mol / l | Ubuffed Waasser PH 5.73; Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 631.80 | ||
paka | 4.78 ± 0,10 | Meescht sauer Tempo: 25 ° C | (1) ACD |
paka | -2,31 ± 0,60 | Déi meescht Basis Tempo: 25 ° C | (1) ACD |
Vapor Drock | 1.42 X 10-25 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 | 1.154 ± 0.06 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volumen | 547.3 ± 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 | 20 | (1) ACD | |
H Akzeptoren | 8 | (1) ACD | |
H Donateuren | 2 | (1) ACD | |
H Spender / Acceptor Zomm | 10 | (1) ACD | |
AloggenO Aloggen | 7.397 ± 0,598 | Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 631.80 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Struktur verbonnen
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Polarfläch | 106 A2 | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Thermesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Kachendepunkt | 779.4 ± 60.0 ° C | Press: 760 Torr | (1) ACD |
Enthalpie vu Vaporization | 118.97 ± 3.0 KJ / MOL | Press: 760 Torr | (1) ACD |
Flash Point | 425.2 ± 32.9 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Spektre verfügbar
1h nmr
13c nmr