C38H499NO7 1- pyrrolididicedoutecanoic acid, 2- [0-BIS (4-MetholyPyHenyl) Phenylm Edoxy] I-Methyl] -4-HYDROXY--Ongwe) - (2s, 4r) - (ACI)

umphumela

C38H499NO7 1- pyrrolididicedoutecanoic acid, 2- [0-BIS (4-MetholyPyHenyl) Phenylm Edoxy] I-Methyl] -4-HYDROXY--Ongwe) - (2s, 4r) - (ACI)

Imininingwane eyisisekelo:


Imininingwane Yomkhiqizo

Amathegi Omkhiqizo

Izakhiwo Ezibonakalayo

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

Amanye amagama nezikhombi

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 Ezibikezelwe

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)

Ukubikezela ukubikezela

I-Spectra iyatholakala
1h NMR
I-13c NMR


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