| Formula |
C11H23N2O7PS |
| IUPAC Name |
[(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate |
| Molecular Mass |
358.348 g·mol−1 |
| Heat of Formation |
-1729.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.63 ± 1.08 D |
| Volume |
409.65 Å 3 |
| Surface Area |
316.45 Å 2 |
| HOMO Energy |
-8.73 ± 0.55 eV |
| LUMO Energy |
-0.21 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2r)-2-hydroxy-n-(3-((2-mercaptoethyl)amino)-3-oxopropyl)-3,3-dimethyl-4-(phosphonooxy)butanamide
- [(3r)-3-hydroxy-4-[[3-(2-mercaptoethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] dihydrogen phosphate
- [(3r)-3-hydroxy-4-keto-4-[[3-keto-3-(2-mercaptoethylamino)propyl]amino]-2,2-dimethyl-butyl] dihydrogen phosphate
- butanamide, 2-hydroxy-n-(3-((2-mercaptoethyl)amino)-3-oxopropyl)-3,3-dimethyl-4-(phosphonooxy)-, (r)-
- pantetheine-4'-phosphate
- pns
|
| CAS Number(s) |
- 105974-69-4
- 13147-30-3
- 137044-41-8
- 20548-76-9
|
| InChIKey |
JDMUPRLRUUMCTL-VIFPVBQESA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
Wikipedia
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
C
H
O
N
P
S
|
| |
|
