![C20H31NO5 searbhag 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 searbhag heptanoic, 3- hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl] amino] -, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) Ìomhaigh sònraichte H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20H31NO5 searbhag heptanoic, 3- hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl] amino] -, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 365.46 | - |
| puing ghoil (ri dùil) | 504.1±50.0 °C | Brùth: 760 Torr |
| Dùmhlachd (Ro-innse) | 1.091 ± 0.06 g / cm3 | Teòthachd: 20 ° C; Brùth: 760 Torr |
| pKa (Air a ro-innse) | 11.82±0.46 | Teòthachd as searbhach: 25 °C |
Canonical SMILES O=C(OCC=1C=CC=CC1)NC(C(O)CC(=O)OC(C)(C)(C)C)C(C)CC
SMILES Isomeric [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)25-13-15-10-8-7-9-11-15/h7-11,14,16,18,22H,6,12-13H2,1-5 H3,(H,21,24)/t14-,16+,18-/m0/s1
Iuchrach InChI
AZTSBAWJROLRIQ-LESCRADOSA-N
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar Co-cheangailte |
| Teirmeach |
Bith-eòlasach
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 616 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 617 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 617 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 617 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 617 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 617 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 617 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 617 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 616 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 604 | pH 10; Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimigeach
| Seilbh | Luach | Staid | Stòr |
| Còc | 3450 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 3460 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 3460 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 3460 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 3460 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 3460 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 3460 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Còc | 3460 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 3450 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 3390 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 3.97 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| logD | 3.97 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 3.97 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 3.97 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 3.97 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 3.97 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 3.97 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 3.97 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 3.97 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 3.96 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 3.974±0.543 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 0.062 g / L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.062 g / L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.062 g / L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.062 g / L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.062 g / L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.062 g / L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.062 g / L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.062 g / L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.062 g / L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.062 g / L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.062 g / L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.062 g / L | Uisge gun bhacadh pH 6.99; Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 1.7 x 10-4 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | Uisge gun bhacadh pH 6.99; Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 365.46 | ||
| pKa | 11.82±0.46 | Teòthachd as searbhach: 25 °C | (1) ACD |
| pKa | -1.56±0.70 | Teòthachd as bunaitiche: 25 °C | (1) ACD |
| Brùthadh vapor | 5.56 x 10-11 Torr | Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dùmhlachd
| Seilbh | Luach | Staid | Stòr |
| Dùmhlachd | 1.091 ± 0.06 g / cm3 | Teòthachd: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Meud Molar | 334.7 ± 3.0 cm3 / mol | Teòthachd: 20 ° C; Brùth: 760 Torr | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Seilbh | Luach | Staid | Stòr |
| Bannan Rotatable an-asgaidh | 12 | (1) ACD | |
| H Luchd-gabhail | 6 | (1) ACD | |
| H Luchd-tabhartais | 2 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 8 | (1) ACD | |
| logP | 3.974±0.543 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 365.46 |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structar Co-cheangailte
| Seilbh | Luach | Staid | Stòr |
| Raon uachdar Polar | 84.9 A2 | (1) ACD | |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Teirmeach
| Seilbh | Luach | Staid | Stòr |
| Rubha Goil | 504.1±50.0 °C | Brùth: 760 Torr | (1) ACD |
| Enthalpy vaporization | 81.44 ± 3.0 kJ / mol | Brùth: 760 Torr | (1) ACD |
| Flash puing | 258.6±30.1 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ri fhaighinn
1H NMR
13C NMR
| Còd | Aithris Cunnart | Stòr |
| H301 | Toxic ma thèid a shlugadh | Clàr Seòrsachadh & Labeling Buidheann Ceimigeach na h-Eòrpa (ECHA) - Seòrsachadh fiosraichte agus bileagan - fiosan as cumanta, Clàr Seòrsachadh is Labeling Buidheann Ceimigeach na h-Eòrpa (ECHA) - Seòrsachadh fiosraichte agus bileagan - fiosan as miosa |
Sgrìobh do theachdaireachd an seo agus cuir thugainn e
![C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-aon, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)
![C21H21N3O6 Thymidine, α – [(1-naphthalenylmethyl)amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C53H66N7O8PSi CAS NO .: 104992-55-4 Adenosine, N-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ - O- [(1,1-dimethylethyl) dimethylsilyl] -, 3 ′ - [2-cyanoethyl N, N-bis(1- methylethyl)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)
![C31H32N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI)](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine-300x300.jpg)
