[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl diethyl phosphate
Basic information
- CAS
91190-12-4- Standard SMILES
CCOP(=O)(OCC)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O- InChIKey
ONQOSLXEHJWXGZ-UHFFFAOYSA-N- Molecular formula
- C14H22N5O7P
- Average molar mass
- 403.33 g/mol
- Monoisotopic mass
- 403.12568506
Names & identifiers
- Preferred name
- [5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl diethyl phosphate
- IUPAC
- [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl diethyl phosphate
Names & synonyms
91190-12-4[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl diethyl phosphateNSC354629DTXSID40320077NSC-3546299-[5-O-(Diethoxyphosphoryl)pentofuranosyl]-9H-purin-6-amine
Database identifiers
- CAS
91190-12-4- PubChem CID
- 337268
- DTXSID
DTXSID40320077
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 536
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Compound notes
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