C38h49No7 1- Pyrrolidinenedodecanoic acid, 2- [me me (4-methylm url)-hydroxy-λ-oxo-, (2s, 4r) - (aci)
| Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
| Molecular hnyav | 631.80 | - |
| Boiling taw tes (kwv yees) | 779.4 ± 60.0 ° C | XOVXWM: 760 Torr |
| Ntom ntom (kwv yees) | 1.154 ± 0.06 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
| PKA (kwv yees) | 4.78 ± 0.10 | Feem ntau acidic temp: 25 ° C |
Canonical smiles o = c (o) n1cccccccccccccccccccccccccccccccccccccccccc) (c3 = cc = cc = cc = c) c3) cc = c) c4
Isomeric smiles c (oc [b @n (cncccccccccccccccccnc) (c3 = cc = c3) cc = cc = c4
Tus hauv onei
Inchi = 1s / C38H49No7 / C1-44-34-24-23-18-30 (29,21-20-25 (45-2) 256-26-23 (40) 27-39 (32) 36 (41) 16-12-7-5-3-4-8-13-17-33 / h9-11,16-13,46-25,42) / t32-, 33 + / m0 / s1
Inchi tus yuam sij
Ceyltmdxadteb-jhousysjsa-n
1 Lwm lub npe rau cov khoom siv no
(2s, 4r) -2 - [me (4-methylmetyl)-hydroxy-λ-oxo-oxo-1-pyrrolidinedodecanoic acid (aci)
| Cov khoom muaj |
| Kev muaj txuj Ci |
| Tshuaj |
| Ceev |
| Ncauj lus di ncauj |
| Cov qauv muaj feem xyuam |
| Thermal |
Kev muaj txuj Ci
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Bioconclivration qhov tseem ceeb | 2.46 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 2.46 x 105 | PHA 2; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 2.42 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 2.11 X 105 | PH 4; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 00 | PH 5; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 14000 | p.c; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1510 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 192 | PH 8; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 58.6 | PH 9; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 45.3 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Tshuaj
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Txhim hoom | 2.52 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 2.51 x 105 | PHA 2; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 2.47 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 2.16 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 94500 | PH 5; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 14300 | p.c; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1550 | pH 7; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 196 | PH 8; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 59.9 | PH 9; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 46.3 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 7.40 | PH 1; Temp: 25 ° C | (1) ACD |
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| logd | 7.40 | PHA 2; Temp: 25 ° C | (1) ACD |
| logd | 7.39 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 6.97 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 6.15 | p.c; Temp: 25 ° C | (1) ACD |
| logd | 5.19 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 4.29 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 3.77 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 3.66 | pH 10; Temp: 25 ° C | (1) ACD |
| lub cim | 7.397 ± 0.598 | Temp: 25 ° C | (1) ACD |
| Kev ua yeeb yam loj solubility solubility | 1.3 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Loj solubility | 1.3 x 10-4 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Loj solubility | 1.3 x 10-4 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
| Loj solubility | 1.3 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Loj solubility | 1.5 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Loj solubility | 3.5 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Loj solubility | 2.3 x 10-3 g / l | p.c; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.021 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.17 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.55 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.69 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Loj solubility | 1.3 x 10-3 g / l | Unbuffered DEJ PH 5.73; Temp: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 2.1 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Raug solubility | 2.1 x 10-7 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Raug solubility | 2.1 x 10-7 mol / l | PHA 2; Temp: 25 ° C | (1) ACD |
| Raug solubility | 2.1 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Raug solubility | 2.4 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Raug solubility | 5.5 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Raug solubility | 3.6 x 10-6 mol / l | p.c; Temp: 25 ° C | (1) ACD |
| Raug solubility | 3.4 x 10-5 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Raug solubility | 2.7 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Raug solubility | 8.7 x 10-4 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Raug solubility | 1.1 x 10-3 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Raug solubility | 2.1 x 10-6 mol / l | Unbuffered DEJ PH 5.73; Temp: 25 ° C | (1) ACD |
| Molecular hnyav | 631.80 | ||
| pa kua muag | 4.78 ± 0.10 | Feem ntau acidic temp: 25 ° C | (1) ACD |
| pa kua muag | -2.31 ± 0.60 | Feem ntau cov sam luam: 25 ° C | (1) ACD |
| Vapor siab | 1.42 x 10-25 torr | Temp: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ceev
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Ceev | 1.154 ± 0.06 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
| Cov pob zeb ntim | 547.3 ± 3.0 cm3 / mol | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ncauj lus di ncauj
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Dawb doatable bonds | 20 | (1) ACD | |
| H neeg txais | 8 | (1) ACD | |
| H pub dawb | 2 | (1) ACD | |
| H pub dawb / txais nyiaj | 10 | (1) ACD | |
| lub cim | 7.397 ± 0.598 | Temp: 25 ° C | (1) ACD |
| Molecular hnyav | 631.80 |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Cov qauv muaj feem xyuam
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Polar Thaj Chaw Thaj Chaw | 106 A2 | (1) ACD | |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Thermal
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Kub taw tes | 779.4 ± 60.0 ° C | XOVXWM: 760 Torr | (1) ACD |
| Enthalpy ntawm vaporization | 118.97 ± 3.0 KJ / MOL | XOVXWM: 760 Torr | (1) ACD |
| Flash point | 425.2 ± 32.9 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Spectra muaj
1h nmr
13C NMR
Sau koj cov lus ntawm no thiab xa mus rau peb
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