Basic information
- CAS
69244-25-3- Standard SMILES
NC(=O)c1nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cs1- InChIKey
OUMYBZQESQTRHV-GBNDHIKLSA-N- Molecular formula
- C9H12N2O5S
- Average molar mass
- 260.27 g/mol
- Monoisotopic mass
- 260.04669266
Overview
a thiazole nucleoside; an inactive analog of tiazofurin; structure given in first source
Names & identifiers
- Preferred name
- Isotiazofurin
- IUPAC
- 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-2-carboxamide
Names & synonyms
Isotiazofurin69244-25-3NSC 3632234-beta-D-Ribofuranosylthiazole-2-carboxamide2-Thiazolecarboxamide, 4-beta-D-ribofuranosyl-RefChem:150054NSC3632232-Thiazolecarboxamide, 4-.beta.-D-ribofuranosyl-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]thiazole-2-carboxamide
Database identifiers
- CAS
69244-25-3- PubChem CID
- 73479
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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