C38H499NO7 1- pyrrolididicedoutecanoic acid, 2- [0-BIS (4-MetholyPyHenyl) Phenylm Edoxy] I-Methyl] -4-HYDROXY--Ongwe) - (2s, 4r) - (ACI)
Izakhiwo ezisemqoka ezisemqoka | Thanda | Into efunekayo |
Isisindo molecular | I-631.80 | - |
Iphoyinti elibilayo (abikezelwe) | 779.4 ± 60.0 ° C | Cindezela: 760 Torr |
Ubuningi (obubikezelwe) | 1.154 ± 0.06 g / cm3 | I-Temp: 20 ° C; Cindezela: 760 Torr |
I-PKA (ebikezelwe) | 4.78 ± 0.10 | Iningi le-acid temp: 25 ° C |
Ukumamatheka kwe-canonical O = c (o) ccccccccccccc (= o) n1cc (o) cc1coc (c = 2c = c (cc2) (C3 = cc = c (oc) c = c4
I-Isomeric Smiles C (OC [C @ H] 1n (C (CCCCCCCCCC (O) = = O) c [c
Inchi
Inchi = 1s / c38h499no7 / c1-44-34-22-18-30 (19-23-34) 38-28-29-35 (45-2) 25-21-31-26-33 (40) 27 (40) 27 (40) 27 (32) 36 (41) 16-12-4-7-4-4-4-4-4-6-37-13,14-11,16-11-16,16-11-16,16-16,16-16,16-11.121-16.26-20h, (H, 42,43, (H, 42,43) / T32-, 33 + / / / M0 / 33 / M0 / 33
Ukhiye we-inchi
Ceyltmxadbel-jhousysjsa-n
1 elinye igama lale nto
.
Izakhiwo zitholakala |
Bitionalogical |
Okuthakiweyo |
Incekusana |
Lipinski |
Isakhiwo esihlobene |
Impamba |
Bitionalogical
Impahla | Thanda | Into efunekayo | Umthombo |
Isici se-BioConCentration | 2.46 x 105 | ph 1; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 2.46 x 105 | I-PH 2; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 2.42 x 105 | I-PH 3; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 2.11 x 105 | I-PH 4; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 92400 | I-PH 5; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 14000 | I-PH 6; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | I-1510 | I-PH 7; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 192 | I-PH 8; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 58.6 | I-PH 9; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 45.3 | ph 10; Temp: 25 ° C | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Okuthakiweyo
Impahla | Thanda | Into efunekayo | Umthombo |
Ibhola | 2.52 x 105 | ph 1; Temp: 25 ° C | (1) ACD |
Ibhola | 2.51 x 105 | I-PH 2; Temp: 25 ° C | (1) ACD |
Ibhola | 2.47 x 105 | I-PH 3; Temp: 25 ° C | (1) ACD |
Ibhola | 2.16 x 105 | I-PH 4; Temp: 25 ° C | (1) ACD |
Ibhola | 94500 | I-PH 5; Temp: 25 ° C | (1) ACD |
Ibhola | 14300 | I-PH 6; Temp: 25 ° C | (1) ACD |
Ibhola | I-1550 | I-PH 7; Temp: 25 ° C | (1) ACD |
Ibhola | 195 | I-PH 8; Temp: 25 ° C | (1) ACD |
Ibhola | 59.9 | I-PH 9; Temp: 25 ° C | (1) ACD |
Ibhola | 46.3 | ph 10; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.40 | ph 1; Temp: 25 ° C | (1) ACD |
Impahla | Thanda | Into efunekayo | Umthombo |
into yokungena yogd | 7.40 | I-PH 2; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.39 | I-PH 3; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 7.33 | I-PH 4; Temp: 25 ° C | (1) ACD |
into yokungena yogd | I-6.97 | I-PH 5; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 6.15 | I-PH 6; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 5.19 | I-PH 7; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 4.29 | I-PH 8; Temp: 25 ° C | (1) ACD |
into yokungena yogd | I-3.77 | I-PH 9; Temp: 25 ° C | (1) ACD |
into yokungena yogd | I-3.66 | ph 10; Temp: 25 ° C | (1) ACD |
ngena ngemvume | 7.397 ± 0.598 | Temp: 25 ° C | (1) ACD |
I-SAST ENTINSIC SOLUBLIC | 1.3 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 1.3 x 10-4 g / l | ph 1; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 1.3 x 10-4 g / l | I-PH 2; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 1.3 x 10-4 g / l | I-PH 3; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 1.5 x 10-4 g / l | I-PH 4; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 3.5 x 10-4 g / l | I-PH 5; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 2.3 x 10-3 g / l | I-PH 6; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 0.021 g / l | I-PH 7; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 0.17 g / l | I-PH 8; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 0.55 g / l | I-PH 9; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 0.69 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 1.3 x 10-3 g / l | Amanzi angafakwanga i-PH 5.73; Temp: 25 ° C | (1) ACD |
I-molar intrinsic soubility | 2.1 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Molar solility | 2.1 x 10-7 mol / l | ph 1; Temp: 25 ° C | (1) ACD |
Molar solility | 2.1 x 10-7 mol / l | I-PH 2; Temp: 25 ° C | (1) ACD |
Molar solility | 2.1 x 10-7 mol / l | I-PH 3; Temp: 25 ° C | (1) ACD |
Molar solility | 2.4 x 10-7 mol / l | I-PH 4; Temp: 25 ° C | (1) ACD |
Molar solility | 5.5 x 10-7 mol / l | I-PH 5; Temp: 25 ° C | (1) ACD |
Molar solility | 3.6 x 10-6 mol / l | I-PH 6; Temp: 25 ° C | (1) ACD |
Molar solility | 3.4 x 10-5 mol / l | I-PH 7; Temp: 25 ° C | (1) ACD |
Molar solility | 2.7 x 10-4 mol / l | I-PH 8; Temp: 25 ° C | (1) ACD |
Molar solility | 8.7 x 10-4 mol / l | I-PH 9; Temp: 25 ° C | (1) ACD |
Impahla | Thanda | Into efunekayo | Umthombo |
Molar solility | 1.1 x 10-3 mol / l | ph 10; Temp: 25 ° C | (1) ACD |
Molar solility | 2.1 x 10-6 mol / l | Amanzi angafakwanga i-PH 5.73; Temp: 25 ° C | (1) ACD |
Isisindo molecular | I-631.80 | ||
i-pka | 4.78 ± 0.10 | Iningi le-acid temp: 25 ° C | (1) ACD |
i-pka | -2.31 ± 0.60 | I-TEMP eyisisekelo Eyisisekelo: 25 ° C | (1) ACD |
Ingcindezi ye-vapor | 1.42 x 10-25 Torm | Temp: 25 ° C | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Incekusana
Impahla | Thanda | Into efunekayo | Umthombo |
Incekusana | 1.154 ± 0.06 g / cm3 | I-Temp: 20 ° C; Cindezela: 760 Torr | (1) ACD |
Ivolumu ye-motal | 547.3 ± 3.0 CM3 / Mol | I-Temp: 20 ° C; Cindezela: 760 Torr | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Lipinski
Impahla | Thanda | Into efunekayo | Umthombo |
Amabhondi ajikeleze ngokukhululeka | 20 | (1) ACD | |
Akwamukela | 8 | (1) ACD | |
H | 2 | (1) ACD | |
H Donor / ukwamukela inani | 10 | (1) ACD | |
ngena ngemvume | 7.397 ± 0.598 | Temp: 25 ° C | (1) ACD |
Isisindo molecular | I-631.80 |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Isakhiwo esihlobene
Impahla | Thanda | Into efunekayo | Umthombo |
Indawo yePolar Surface | 106 A2 | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Impamba
Impahla | Thanda | Into efunekayo | Umthombo |
Iphuzu elibilayo | 779.4 ± 60.0 ° C | Cindezela: 760 Torr | (1) ACD |
I-Enthalpy of Vaporization | 118.97 ± 3.0 KJ / Mol | Cindezela: 760 Torr | (1) ACD |
I-flash point | 425.2 ± 32.9 ° C | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
I-Spectra iyatholakala
1h NMR
I-13c NMR