((2R,3S,4R,5R)-5-(6-Amino-8-((3-aminopropyl)amino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
Basic information
- CAS
56878-15-0- Standard SMILES
NCCCNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O- InChIKey
VTFFYINLPPNZSF-WOUKDFQISA-N- Molecular formula
- C13H22N7O7P
- Average molar mass
- 419.33 g/mol
- Monoisotopic mass
- 419.13183306
Names & identifiers
- Preferred name
- ((2R,3S,4R,5R)-5-(6-Amino-8-((3-aminopropyl)amino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
- IUPAC
- [(2R,3S,4R,5R)-5-[6-amino-8-(3-aminopropylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Names & synonyms
56878-15-0((2R,3S,4R,5R)-5-(6-Amino-8-((3-aminopropyl)amino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphateDTXSID808532588-[(3-Aminopropyl)amino]adenosine 5'-(dihydrogen phosphate){[(2R,3S,4R,5R)-5-{6-amino-8-[(3-aminopropyl)amino]-9H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Database identifiers
- CAS
56878-15-0- PubChem CID
- 71444487
- DTXSID
DTXSID80853258
Properties
Computed structural properties
- XLogP
- -5.5
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 571
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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