| Formula |
C7H13NO4S |
| IUPAC Name |
(2r)-2-acetamido-3-(2-hydroxyethylsulfanyl)propanoic acid |
| Molecular Mass |
207.247 g·mol−1 |
| Heat of Formation |
-816.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.80 ± 1.08 D |
| Volume |
236.83 Å 3 |
| Surface Area |
214.17 Å 2 |
| HOMO Energy |
-8.90 ± 0.55 eV |
| LUMO Energy |
-0.48 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2r)-2-acetamido-3-(2-hydroxyethylsulfanyl)propanoic acid
- (2r)-2-acetamido-3-(2-hydroxyethylthio)propanoic acid
- (2r)-2-acetamido-3-(2-hydroxyethylthio)propionic acid
- 2-hydroxyethylmercapturic acid
- alanine, n-acetyl-3-((2-hydroxyethyl)thio)-
- l-cysteine, n-acetyl-s-(2-hydroxyethyl)-
- n-acetyl-s-(2-hydroxyethyl)cysteine
- n-acetyl-s-2-hydroxyethyl-l-cysteine
- s-(2-hydroxyethyl)-n-acetyl-l-cysteine
- s-(beta-hydroxyethyl)mercapturic acid
|
| CAS Number(s) |
- 97170-09-7
- 19179-72-7
- 15060-26-1
|
| InChIKey |
NAYOYSKSFGMFOB-LURJTMIESA-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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