Formula |
C12H23N2O9PS |
IUPAC Name |
(2r)-2-[3-[[(2r)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]-3-sulfanyl-propanoic acid |
Molecular Mass |
402.358 g·mol−1 |
Heat of Formation |
-2086.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.30 ± 1.08 D |
Volume |
440.26 Å 3 |
Surface Area |
377.29 Å 2 |
HOMO Energy |
-9.24 ± 0.55 eV |
LUMO Energy |
-0.68 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2r)-2-[3-[[(2r)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]-3-mercapto-propionic acid
- (2r)-2-[3-[[(2r)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]-3-sulfanyl-propanoic acid
- (2r)-2-[[3-[[(2r)-2-hydroxy-3,3-dimethyl-1-oxo-4-phosphonooxybutyl]amino]-1-oxopropyl]amino]-3-mercaptopropanoic acid
- (r)-4'-phosphopantothenoyl-l-cysteine
- n-[(r)-4'-phosphopantothenoyl]-l-cysteine
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InChIKey |
XQYALQVLCNHCFT-CBAPKCEASA-N |
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Links |
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DOI |
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Elements |
C
H
O
N
P
S
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