((2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-chloro-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
Basic information
- CAS
58865-95-5- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1Cl- InChIKey
NQHONDYKQCGOQI-QYYRPYCUSA-N- Molecular formula
- C10H13ClN5O6P
- Average molar mass
- 365.67 g/mol
- Monoisotopic mass
- 365.0291978
Names & identifiers
- Preferred name
- ((2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-chloro-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
- IUPAC
- [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-chloro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
- English name
- poly(2'-chloro-2'-deoxyadenylic acid)
- Molecular formula
- C10H13ClN5O6P
- Molecular weight
- 365.666881
Names & synonyms
58865-95-5((2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-chloro-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphateSCHEMBL29258528SCHEMBL30927582DTXSID40984072{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-chloro-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid2'-chloro-2'-deoxyadenosine 5'-(dihydrogen phosphate)9-(2-Chloro-2-deoxy-5-O-phosphonopentofuranosyl)-9H-purin-6-aminepoly(2'-chloro-2'-deoxyadenylic acid)
Database identifiers
- CAS
58865-95-5、65456-04-4- PubChem CID
- 196433
- DTXSID
DTXSID40984072
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
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Related reactions
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Compound notes
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