Thiophenfurin
Basic information
- CAS
161407-67-6- Standard SMILES
NC(=O)c1csc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1- InChIKey
ZMZVQYZXVGKLML-YYNOVJQHSA-N- Molecular formula
- C10H13NO5S
- Average molar mass
- 259.28 g/mol
- Monoisotopic mass
- 259.05144369
Overview
a tiazofurin analog; structure given in first source
Names & identifiers
- Preferred name
- Thiophenfurin
- IUPAC
- 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide
- English name
- 3-Thiophenecarboxamide, 5-beta-D-ribofuranosyl-
- Molecular formula
- C10H13NO5S
- Molecular weight
- 259.28
Names & synonyms
Thiophenfurin161407-67-63-Thiophenecarboxamide, 5-beta-D-ribofuranosyl-5-(beta-D-ribofuranosyl)thiophene-3-carboxamide43C65ZS2XKRefChem:1896195-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide3-Thiophenecarboxamide, 5-.beta.-D-ribofuranosyl-UNII-43C65ZS2XKSCHEMBL3051763CHEMBL31439935-.BETA.-D-RIBOFURANOSYL-3-THIOPHENECARBOXAMIDE
Show more names
3-THIOPHENECARBOXAMIDE,5-SS-D-RIBOFURANOSYL-3-Thiophenecarboxamide, 5-β-D-ribofuranosyl-
Database identifiers
- CAS
161407-67-6- PubChem CID
- 9816617
- ChEMBL
CHEMBL3143993- UNII
- 43C65ZS2XK
- Nikkaji
- J696.859G
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 566.7 · 566.7±50.0 °C(Predicted)
- Density
- 1.574 · 1.574±0.06 g/cm3(Predicted)
- pka
- 13.32 · 13.32±0.70(Predicted)
- FDA UNII
- 43 C65ZS2XK · 43C65ZS2XK
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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