![C38H49NO7 1- Pyrrolidinedodecanoic acid, 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 acid, 2- [[bis (4-methoxyphenyl) phenylm ethoxy] methyl] -4-hydroxy-λ-oxo-, (2S,4R) - (ACI) Ihe onyonyo egosipụtara](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis (4-methoxyphenyl) phenylm ethoxy] methyl] -4-hydroxy-λ-oxo-, (2S,4R) - (ACI)
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 631.80 | - |
| Ebe a na-esi esi esi (buru amụma) | 779.4± 60.0 Celsius C | Pịa: 760 Torr |
| Njupụta (buru amụma) | 1.154±0.06 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
| pKa (buru amụma) | 4.78± 0.10 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SMILES O=C(O)CCCCCCCCCC(=O)N1CC(O)CC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C= C4
Isomeric SMILES C (OC[C@H] 1N(C(CCCCCCCCCC(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) 16-12-7-5-3-3-4-6-8-13-17- 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
Igodo InChi
CEYLTMDXADTBEL-JHOUSYSJSA-N
1 Aha ọzọ maka ihe a
(2S,4R) -2-[[Bis (4-methoxyphenyl) phenylmethoxy]methyl] -4-hydroxy-λ-oxo-1-pyrrolidinedodecanoic acid (ACI)
| Ngwongwo dị |
| Usoro ndu |
| Chemical |
| Njupụta |
| Lipinski |
| Ọdịdị metụtara |
| Thermal |
Usoro ndu
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 2,46 x 105 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2,46 x 105 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2,42 x 105 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2.11 x 105 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 92400 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 14000 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1510 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 192 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 58.6 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 45.3 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 2,52 x 105 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 2,51 x 105 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 2,47 x 105 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 2,16 x 105 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 94500 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 14300 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1550 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 196 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 59.9 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 46.3 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.40 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| logD | 7.40 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.39 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.33 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.97 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.15 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.19 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.29 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 3.77 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 3.66 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 7.397±0.598 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 1.3 x 10-4 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.3 x 10-4 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.3 x 10-4 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.3 x 10-4 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.5 x 10-4 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.5 x 10-4 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.3 x 10-3 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.021 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.17 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0,55 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.69 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.3 x 10-3 g/L | Mmiri na-enweghị atụ pH 5.73; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 2.1 x 10-7 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.1 x 10-7 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.1 x 10-7 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.1 x 10-7 mol / l | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.4 x 10-7 mol / l | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 5.5 x 10-7 mol / l | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 3.6 x 10-6 mol/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 3.4 x 10-5 mol / l | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.7 x 10-4 mol / l | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 8.7 x 10-4 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Solubility Molar | 1.1 x 10-3 mol / l | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.1 x 10-6 mol/L | Mmiri na-enweghị atụ pH 5.73; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 631.80 | ||
| pKa | 4.78± 0.10 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | -2.31±0.60 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
| Uzuoku Nrụgide | 1.42 x 10-25 Torr | Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Njupụta
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Njupụta | 1.154±0.06 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
| Olu Molar | 547.3 ± 3.0 cm3 / mol | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 20 | (1) ACD | |
| H Ndị nnabata | 8 | (1) ACD | |
| H Ndị na-enye onyinye | 2 | (1) ACD | |
| H Donor/Anabata Nchikota | 10 | (1) ACD | |
| logP | 7.397±0.598 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 631.80 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Mpaghara elu elu | 106 A2 | (1) ACD | |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ebe esi nri | 779.4± 60.0 Celsius C | Pịa: 760 Torr | (1) ACD |
| Enthalpy nke Vaporization | 118.97± 3.0 kJ/mol | Pịa: 760 Torr | (1) ACD |
| Ebe mgbari | 425.2±32.9 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR
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