| Formula |
C8H15NO4S |
| IUPAC Name |
(2r)-2-acetamido-3-(3-hydroxypropylsulfanyl)propanoic acid |
| Molecular Mass |
221.274 g·mol−1 |
| Heat of Formation |
-801.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.21 ± 1.08 D |
| Volume |
265.17 Å 3 |
| Surface Area |
255.62 Å 2 |
| HOMO Energy |
-8.81 ± 0.55 eV |
| LUMO Energy |
-0.20 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2r)-2-acetamido-3-(3-hydroxypropylsulfanyl)propanoic acid
- (2r)-2-acetamido-3-(3-hydroxypropylthio)propanoic acid
- (2r)-2-acetamido-3-(3-hydroxypropylthio)propionic acid
- 2-acetamido-3-(3'-hydroxypropylthio)propanoic acid
- 3-hydroxypropylmercapturic acid
- l-cysteine, n-acetyl-s-(3-hydroxypropyl)-
- n-acetyl-s-(3-hydroxypropyl)cysteine
- s-(3-hydroxypropyl)cysteine n-acetate
|
| CAS Number(s) |
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| InChIKey |
FMWPQZPFBAHHMB-ZETCQYMHSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
N
|
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