![C38H49NO7 1- Asidra pyrrolidinedodecanoic, 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- Asidra pyrrolidinedodecanoic, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI) Sary nasongadina](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- Asidra pyrrolidinedodecanoic, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 631.80 | - |
| Teboka mangotraka (voavinavina) | 779.4±60.0 °C | Press: 760 Torr |
| Density (voavinavina) | 1,154±0,06 g/cm3 | Mafana: 20 °C; Press: 760 Torr |
| pKa (voavinavina) | 4.78±0.10 | Mafana asidra indrindra: 25 °C |
SMILES Canonical O=C(O)CCCCCCCCCC(=O)N1CC(O)CC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4
SMILES Isomerik 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(29-14-10-9-1 1-15-29,31-20-24-35(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 Key
CEYLTMDXADTBEL-JHOUSYSJSA-N
1 Anarana hafa ho an'ity akora ity
(2S,4R)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-1-pyrrolidinedodecanoic acid (ACI)
| Properties misy |
| niteraka |
| simika |
| hakitroky |
| Lipinski |
| Structure Related |
| mafana |
niteraka
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 2.46 x 105 | pH 1; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.46 x 105 | pH 2; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.42 x 105 | pH 3; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.11 x 105 | pH 4; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 92400 | pH 5; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 14000 | pH 6; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1510 | pH 7; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 192 | pH 8; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 58.6 | pH 9; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 45.3 | pH 10; Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
simika
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 2.52 x 105 | pH 1; Mafana: 25 °C | (1) ACD |
| Koc | 2.51 x 105 | pH 2; Mafana: 25 °C | (1) ACD |
| Koc | 2.47 x 105 | pH 3; Mafana: 25 °C | (1) ACD |
| Koc | 2.16 x 105 | pH 4; Mafana: 25 °C | (1) ACD |
| Koc | 94500 | pH 5; Mafana: 25 °C | (1) ACD |
| Koc | 14300 | pH 6; Mafana: 25 °C | (1) ACD |
| Koc | 1550 | pH 7; Mafana: 25 °C | (1) ACD |
| Koc | 196 | pH 8; Mafana: 25 °C | (1) ACD |
| Koc | 59.9 | pH 9; Mafana: 25 °C | (1) ACD |
| Koc | 46.3 | pH 10; Mafana: 25 °C | (1) ACD |
| logD | 7.40 | pH 1; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| logD | 7.40 | pH 2; Mafana: 25 °C | (1) ACD |
| logD | 7.39 | pH 3; Mafana: 25 °C | (1) ACD |
| logD | 7.33 | pH 4; Mafana: 25 °C | (1) ACD |
| logD | 6.97 | pH 5; Mafana: 25 °C | (1) ACD |
| logD | 6.15 | pH 6; Mafana: 25 °C | (1) ACD |
| logD | 5.19 | pH 7; Mafana: 25 °C | (1) ACD |
| logD | 4.29 | pH 8; Mafana: 25 °C | (1) ACD |
| logD | 3.77 | pH 9; Mafana: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Mafana: 25 °C | (1) ACD |
| logP | 7.397±0.598 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 1,3 x 10-4 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,3 x 10-4 g/L | pH 1; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,3 x 10-4 g/L | pH 2; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,3 x 10-4 g/L | pH 3; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,5 x 10-4 g/L | pH 4; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,5 x 10-4 g/L | pH 5; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 2,3 x 10-3 g/L | pH 6; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,021 g/L | pH 7; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,17 g/L | pH 8; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,55 g/L | pH 9; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,69 g/L | pH 10; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,3 x 10-3 g/L | Rano tsy voaaro pH 5.73; Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 2,1 x 10-7 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,1 x 10-7 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,1 x 10-7 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,1 x 10-7 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,4 x 10-7 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 5,5 x 10-7 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 3,6 x 10-6 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 3,4 x 10-5 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,7 x 10-4 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 8,7 x 10-4 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Molar Solubility | 1,1 x 10-3 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,1 x 10-6 mol/L | Rano tsy voaaro pH 5.73; Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 631.80 | ||
| pKa | 4.78±0.10 | Mafana asidra indrindra: 25 °C | (1) ACD |
| pKa | -2.31±0.60 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
| Fanerena ny etona | 1.42 x 10-25 Torr | Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
hakitroky
| NY FANANANA | sarobidy | toe-javatra | Source |
| hakitroky | 1,154±0,06 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
| Boky molar | 547.3±3.0 cm3/mol | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| NY FANANANA | sarobidy | toe-javatra | Source |
| Fatorana azo ahodina malalaka | 20 | (1) ACD | |
| H Acceptors | 8 | (1) ACD | |
| H Mpanome | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 10 | (1) ACD | |
| logP | 7.397±0.598 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 631.80 |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Structure Related
| NY FANANANA | sarobidy | toe-javatra | Source |
| Faritra ambonin'ny polar | 106 A2 | (1) ACD | |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
mafana
| NY FANANANA | sarobidy | toe-javatra | Source |
| Teboka mangotraka | 779.4±60.0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy de evaporation | 118,97±3,0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash point | 425.2±32.9 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra misy
1H NMR
13C NMR
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