Basic information
- CAS
805245-13-0- Standard SMILES
Cc1nc2c(s1)O[C@H](CO)[C@H](O)[C@@H]2O- InChIKey
LAYGJMIHKAUFND-PRMYIZFSSA-N- Molecular formula
- C8H11NO4S
- Average molar mass
- 217.24 g/mol
Names & identifiers
- Preferred name
- (5R,6R,7R)-5-(hydroxymethyl)-2-methyl-6,7-dihydro-5H-pyrano[3,2-d][1,3]thiazole-6,7-diol
- IUPAC
- (5R,6R,7R)-5-(hydroxymethyl)-2-methyl-6,7-dihydro-5H-pyrano[3,2-d][1,3]thiazole-6,7-diol
- English name
- 5H-Pyrano[3,2-d]thiazole-6,7-diol, 6,7-dihydro-5-(hydroxymethyl)-2-methyl-, (5R,6R,7R)- (9CI)
- Molecular formula
- C8H11NO4S
- Molecular weight
- 217.24
Names & synonyms
CHEMBL404651BDBM503774415H-Pyrano[3,2-d]thiazole-6,7-diol, 6,7-dihydro-5-(hydroxymethyl)-2-methyl-, (5R,6R,7R)-5H-Pyrano[3,2-d]thiazole-6,7-diol, 6,7-dihydro-5-(hydroxymethyl)-2-methyl-, (5R,6R,7R)- (9CI)
Database identifiers
- CAS
805245-13-0- ChEMBL
CHEMBL404651
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
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Compound notes
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