![C38H49NO7 1- Pyrrolidinedodecanoic asid, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-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)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI) Imaj ki prezante](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- Pyrrolidinedodecanoic asid, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 631,80 | - |
| Pwen bouyi (Prevwa) | 779.4±60.0 °C | Press: 760 Torr |
| Dansite (Prevwa) | 1.154±0.06 g/cm3 | Tanperati: 20 °C; Press: 760 Torr |
| pKa (Prevwa) | 4.78±0.10 | Tanperati ki pi asid: 25 °C |
Canonical SMILES O=C(O)CCCCCCCCCCC(=O)N1CC(O)CC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C= C4
Isomerik SMILES 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)46-28-32-26-33(40)27-39(32) 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 kle
CEYLTMDXADTBEL-JHOUSYSJSA-N
1 Lòt Non pou sibstans sa a
(2S,4R)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-1-pyrrolidinedodecanoic asid (ACI)
| Pwopriyete ki disponib |
| Byolojik |
| Chimik |
| Dansite |
| Lipinski |
| Estrikti ki gen rapò |
| Tèmik |
Byolojik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 2.46 x 105 | pH 1; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 2.46 x 105 | pH 2; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 2.42 x 105 | pH 3; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 2.11 x 105 | pH 4; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 92400 | pH 5; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 14000 | pH 6; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1510 | pH 7; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 192 | pH 8; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 58.6 | pH 9; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 45.3 | pH 10; Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Chimik
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 2.52 x 105 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 2.51 x 105 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 2.47 x 105 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 2.16 x 105 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 94500 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 14300 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 1550 | pH 7; Tanperati: 25 °C | (1) ACD |
| Koc | 196 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 59.9 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 46.3 | pH 10; Tanperati: 25 °C | (1) ACD |
| logD | 7.40 | pH 1; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| logD | 7.40 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | 7.39 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | 7.33 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | 6.97 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | 6.15 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | 5.19 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | 4.29 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | 3.77 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | 7.397±0.598 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 1.3 x 10-4 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.3 x 10-4 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.3 x 10-4 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.3 x 10-4 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.5 x 10-4 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 3.5 x 10-4 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 2.3 x 10-3 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.021 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.17 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.55 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.69 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.3 x 10-3 g/L | Dlo san tampon pH 5.73; Tanperati: 25 °C | (1) ACD |
| Solibilite intrinsèque molè | 2.1 x 10-7 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.1 x 10-7 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.1 x 10-7 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.1 x 10-7 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.4 x 10-7 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 5.5 x 10-7 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 3.6 x 10-6 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 3.4 x 10-5 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.7 x 10-4 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 8.7 x 10-4 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Solibilite molè | 1.1 x 10-3 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.1 x 10-6 mol/L | Dlo san tampon pH 5.73; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 631,80 | ||
| pKa | 4.78±0.10 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | -2.31±0.60 | Tanperati ki pi fondamantal: 25 °C | (1) ACD |
| Presyon vapè | 1.42 x 10-25 Torr | Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dansite
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 1.154±0.06 g/cm3 | Tanperati: 20 °C; Press: 760 Torr | (1) ACD |
| Volim molè | 547.3±3.0 cm3/mol | Tanperati: 20 °C; Press: 760 Torr | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 20 | (1) ACD | |
| H Aseptè | 8 | (1) ACD | |
| H Donatè | 2 | (1) ACD | |
| H Sòm donatè/akseptè | 10 | (1) ACD | |
| logP | 7.397±0.598 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 631,80 |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Zòn Sifas Polè | 106 A2 | (1) ACD | |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen bouyi | 779.4±60.0 °C | Press: 760 Torr | (1) ACD |
| Entalpi nan Vaporizasyon | 118.97±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash Point | 425.2±32.9 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectre ki disponib
1H RMN
13C RMN
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