Basic information
- CAS
57071-58-6- Standard SMILES
NC(=S)c1c(N)n(C2OC(CO)C(O)C2O)c2ncnc(N)c12- InChIKey
HPCAEYRDTFITHI-UHFFFAOYSA-N- Molecular formula
- C12H16N6O4S
- Average molar mass
- 340.36 g/mol
- Monoisotopic mass
- 340.09537419
Names & identifiers
- Preferred name
- Sangivamycin, 6-aminothio-
- IUPAC
- 4,6-diamino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide
Names & synonyms
NSC18052557071-58-6Sangivamycin, 6-aminothio-DTXSID80398659NSC-1805254,6-Diamino-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide
Database identifiers
- CAS
57071-58-6- PubChem CID
- 4033014
- DTXSID
DTXSID80398659
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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