![C38H49NO7 1- Pyrrolidinedodecanoic asid, 2- [[bis (4-methoxyphenyl) fenilm etoxy] methyl] -4-idroksi-λ-oxo-, (2s, 4r)-(ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C38H49NO7 1- Pyrrolidinedodecanoic asid, 2- [[bis (4-methoxyphenyl) ethoxy fenilm] methyl] -4-idroksi-λ-oxo-, (2s, 4r)-(ACI) imaj chin an tap chin an tap prezante](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- Pyrrolidinedodecanoic asid, 2- [[bis (4-methoxyphenyl) fenilm etoxy] methyl] -4-idroksi-λ-oxo-, (2s, 4r)-(ACI)
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 631.80 | - |
| Pwen bouyi (prevwa) | 779.4 ± 60.0 ° C | Peze: 760 Torr |
| Dansite (prevwa) | 1.154 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 4.78 ± 0.10 | Pifò asid tanperati: 25 ° C |
Souri kanonyal O = C (O) CCCCCCCCCC (= O) N1CC (O) CC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C (OC) C = C4
Isomerik souri C (OC [C@H] 1N (C (CCCCCCCCCCC (O) = O) = O) C [C@H] (O) C1) (C2 = CC = C (OC) C = C2) (C3 = CC = C (OC) C = C3) C4 = CC = CC = C4
Inchi
Inchi = 1S/C38H49NO7/C1-44-34-22-18-30 (19-23-34) 38 (29-14-10-9-11-15-29,31-20-24-35 (45-2) 25-21-31) 46-28-32-26-2-2) 36 (41) 16-1on
Inchi kle
Ceyltmdxadtbel-jhousysjsa-n
1 lòt non pou sibstans sa a
(2S, 4R) -2-[[bis (4-methoxyphenyl) fenilmetoksi] methyl] -4-idroksi-λ-oxo-1-pirrolidinedecanoic asid (ACI)
| Pwopriyete ki disponib |
| Biolojik |
| Chimik |
| Densite |
| Lipinski |
| Estrikti ki gen rapò |
| Tèmik |
Biolojik
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 2.46 x 105 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 2.46 x 105 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 2.42 x 105 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 2.11 x 105 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 92400 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 14000 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1510 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 192 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 58.6 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 45.3 | pH 10; Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Chimik
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 2.52 x 105 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 2.51 x 105 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 2.47 x 105 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 2.16 x 105 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 94500 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 14300 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 1550 | pH 7; Tan: 25 ° C | (1) ACD |
| Ka | 196 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 59.9 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 46.3 | pH 10; Tan: 25 ° C | (1) ACD |
| Logd | 7.40 | Ph 1; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Logd | 7.40 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | 7.39 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | 7.33 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | 6.97 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | 6.15 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | 5.19 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | 4.29 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | 3.77 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | 3.66 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | 7.397 ± 0.598 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 1.3 x 10-4 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.3 x 10-4 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.3 x 10-4 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.3 x 10-4 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.5 x 10-4 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.5 x 10-4 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 2.3 x 10-3 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.021 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.17 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.55 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.69 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.3 x 10-3 g/l | PH dlo unbuffered 5.73; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 2.1 x 10-7 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.1 x 10-7 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.1 x 10-7 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.1 x 10-7 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.4 x 10-7 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 5.5 x 10-7 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.6 x 10-6 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.4 x 10-5 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.7 x 10-4 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 8.7 x 10-4 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Solubilite molè | 1.1 x 10-3 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.1 x 10-6 mol/l | PH dlo unbuffered 5.73; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 631.80 | ||
| pka | 4.78 ± 0.10 | Pifò asid tanperati: 25 ° C | (1) ACD |
| pka | -2.31 ± 0.60 | Pifò debaz tanperati: 25 ° C | (1) ACD |
| Presyon vapè | 1.42 x 10-25 Torr | Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Densite
| Posesyon | Valè | Kondisyon | Sous |
| Densite | 1.154 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 547.3 ± 3.0 cm3/mol | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Posesyon | Valè | Kondisyon | Sous |
| Lib lib wotasyon | 20 | (1) ACD | |
| H akseptab | 8 | (1) ACD | |
| H donatè | 2 | (1) ACD | |
| H donatè/aksepte sòm | 10 | (1) ACD | |
| logp | 7.397 ± 0.598 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 631.80 |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Posesyon | Valè | Kondisyon | Sous |
| Zòn sifas polè | 106 A2 | (1) ACD | |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Tèmik
| Posesyon | Valè | Kondisyon | Sous |
| Pwen bouyi | 779.4 ± 60.0 ° C | Peze: 760 Torr | (1) ACD |
| Enthalpy nan vaporizasyon | 118.97 ± 3.0 kJ/mol | Peze: 760 Torr | (1) ACD |
| Pwen flash | 425.2 ± 32.9 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Spèktr ki disponib
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