Pantoylaurine
Basic information
- CAS
2545-84-8- Standard SMILES
CC(C)(CO)C(O)C(=O)NCCS(=O)(=O)O- InChIKey
IZRUXXTXKZAGQQ-UHFFFAOYSA-N- Molecular formula
- C8H17NO6S
- Average molar mass
- 255.29 g/mol
- Monoisotopic mass
- 255.07765844
Names & identifiers
- Preferred name
- Pantoylaurine
- IUPAC
- 2-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]ethanesulfonic acid
Names & synonyms
PantoylaurinePantoyl taurineNSC30862-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]ethanesulfonic acidX 184NSC1220222-((2,4-Dihydroxy-3,3-dimethylbutanoyl)amino)ethanesulfonic acidEthanesulfonic acid, 2-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-, (R)-2-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]ethanesulfonic acidSCHEMBL6673173Taurine,4-dihydroxy-3,3-dimethylbutyryl)-Ethanesulfonic acid,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-, (R)-
Database identifiers
- CAS
2545-84-8- PubChem CID
- 95350
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 331
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Related reactions
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Compound notes
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