![C20H31NO5 asid heptanoic, 3- hydroxy-5-methyl-4-[[(phenylmethoxy) carbonyl] amino]-, 1,1-dimethylethyl ester, [3r- (3r*, 4s*, 5s*)]-(9ci) h301](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C20H31NO5 Asid heptanoic, 3- hydroxy-5-methyl-4-[[(Phenylmethoxy) carbonyl] amino]-, 1,1-dimethylethyl ester, [3R- (3R*, 4S*, 5S*)]-(9CI) H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20H31NO5 asid heptanoic, 3- hydroxy-5-methyl-4-[[(phenylmethoxy) carbonyl] amino]-, 1,1-dimethylethyl ester, [3r- (3r*, 4s*, 5s*)]-(9ci) h301
| Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
| Pwysau moleciwlaidd | 365.46 | - |
| Berwbwynt (a ragwelir) | 504.1 ± 50.0 ° C. | Gwasg: 760 Torr |
| Dwysedd (a ragwelir) | 1.091 ± 0.06 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr |
| PKA (a ragwelir) | 11.82 ± 0.46 | Mwyaf Temp Asidig: 25 ° C. |
Gwenau canonaidd o = c (occ = 1c = cc = cc1) nc (c (o) cc (= o) oc (c) (c) c) c (c) cc
Gwenau isomerig [c@h] ([c @@ h] (cc (oc (c) (c) c) = o) o) (nc (occ1 = cc = cc = c1) = o) [c@h] (cc) c
Inchi
Inchi = 1S/C20H31NO5/C1-6-14 (2) 18 (16 (22) 12-17 (23) 26-20 (3,4) 5) 21-19 (24) 25-13-15-10-8-7-7-9-11-15/H7-11,11,14,14,16,16,22-2-13H, 6,12-212h, H3, (h, 21,24)/t14-, 16+, 18-/m0/s1
Allwedd inchi
Aztsbawjrolriq-lescradosa-n
| Eiddo ar gael |
| Biolegol |
| Gemegol |
| Ddwysedd |
| Lipinski |
| Strwythur yn gysylltiedig |
| Thermol |
Biolegol
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Ffactor Bio -ganolbwynt | 616 | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 617 | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 617 | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 617 | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 617 | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 617 | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 617 | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 617 | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 616 | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 604 | Ph 10; TEMP: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Gemegol
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Koc | 3450 | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Koc | 3460 | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Koc | 3460 | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Koc | 3460 | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Koc | 3460 | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Koc | 3460 | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Koc | 3460 | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Koc | 3460 | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Koc | 3450 | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Koc | 3390 | Ph 10; TEMP: 25 ° C. | (1) ACD |
| log | 3.97 | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| log | 3.97 | Ph 2; TEMP: 25 ° C. | (1) ACD |
| log | 3.97 | Ph 3; TEMP: 25 ° C. | (1) ACD |
| log | 3.97 | Ph 4; TEMP: 25 ° C. | (1) ACD |
| log | 3.97 | Ph 5; TEMP: 25 ° C. | (1) ACD |
| log | 3.97 | Ph 6; TEMP: 25 ° C. | (1) ACD |
| log | 3.97 | Ph 7; TEMP: 25 ° C. | (1) ACD |
| log | 3.97 | Ph 8; TEMP: 25 ° C. | (1) ACD |
| log | 3.97 | Ph 9; TEMP: 25 ° C. | (1) ACD |
| log | 3.96 | Ph 10; TEMP: 25 ° C. | (1) ACD |
| logio | 3.974 ± 0.543 | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd cynhenid torfol | 0.062 g/l | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 0.062 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 0.062 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 0.062 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 0.062 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 0.062 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 0.062 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 0.062 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 0.062 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 0.062 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 0.062 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 0.062 g/l | Dŵr heb ei drin pH 6.99; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd cynhenid molar | 1.7 x 10-4 mol/l | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.7 x 10-4 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.7 x 10-4 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.7 x 10-4 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.7 x 10-4 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.7 x 10-4 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.7 x 10-4 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.7 x 10-4 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.7 x 10-4 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.7 x 10-4 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Hydoddedd molar | 1.7 x 10-4 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.7 x 10-4 mol/l | Dŵr heb ei drin pH 6.99; TEMP: 25 ° C. | (1) ACD |
| Pwysau moleciwlaidd | 365.46 | ||
| PKA | 11.82 ± 0.46 | Mwyaf Temp Asidig: 25 ° C. | (1) ACD |
| PKA | -1.56 ± 0.70 | Temp mwyaf sylfaenol: 25 ° C. | (1) ACD |
| Pwysau anwedd | 5.56 x 10-11 Torr | TEMP: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Ddwysedd
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Ddwysedd | 1.091 ± 0.06 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
| Cyfaint molar | 334.7 ± 3.0 cm3/mol | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Bondiau rotatable yn rhydd | 12 | (1) ACD | |
| H Derbynyddion | 6 | (1) ACD | |
| H rhoddwyr | 2 | (1) ACD | |
| H rhoddwr/derbynnydd swm | 8 | (1) ACD | |
| logio | 3.974 ± 0.543 | TEMP: 25 ° C. | (1) ACD |
| Pwysau moleciwlaidd | 365.46 |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Strwythur yn gysylltiedig
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Arwynebedd pegynol | 84.9 A2 | (1) ACD | |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Thermol
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Berwbwyntiau | 504.1 ± 50.0 ° C. | Gwasg: 760 Torr | (1) ACD |
| Enthalpi anweddiad | 81.44 ± 3.0 kJ/mol | Gwasg: 760 Torr | (1) ACD |
| Phwynt fflach | 258.6 ± 30.1 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Sbectra ar gael
1h nmr
13c nmr
| Codiff | Datganiad Peryglon | Ffynhonnell |
| H301 | Gwenwynig os yw'n cael ei lyncu | Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau Mwyaf Cyffredin, Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau mwyaf difrifol |
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