[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Basic information
- CAS
83285-83-0- Standard SMILES
NC(=O)c1csc(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)n1- InChIKey
INQLNSVYIFCUML-UHFFFAOYSA-N- Molecular formula
- C19H25N7O14P2S
- Average molar mass
- 669.5 g/mol
- Monoisotopic mass
- 669.06554367
Names & identifiers
- Preferred name
- [[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- IUPAC
- [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Names & synonyms
NSC358285[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateNSC-358285NCI60_003250
Database identifiers
- CAS
83285-83-0- PubChem CID
- 337960
Properties
Computed structural properties
- XLogP
- -5.8
- Topological polar surface area
- 356 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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