2-[(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl dihydrogen phosphate
Basic information
- CAS
86626-01-9- Standard SMILES
Nc1ncnc2c1ccn2COCCOP(=O)(O)O- InChIKey
KCUKKKFSSJVHFK-UHFFFAOYSA-N- Molecular formula
- C9H13N4O5P
- Average molar mass
- 288.2 g/mol
- Monoisotopic mass
- 288.06235653
Names & identifiers
- Preferred name
- 2-[(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl dihydrogen phosphate
- IUPAC
- 2-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl dihydrogen phosphate
Names & synonyms
86626-01-9NSC3391782-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl dihydrogen phosphateDTXSID10319059KCUKKKFSSJVHFK-UHFFFAOYSA-NNSC-3391787-[2'-Hydroxyethoxymethyl]-4-aminopyrolo[2,3-d]pyrimidine 2'-phosphate2-[(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl dihydrogen phosphate2-[(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl dihydrogen phosphate #
Database identifiers
- CAS
86626-01-9- PubChem CID
- 334346
- DTXSID
DTXSID10319059
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 341
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Related reactions
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Compound notes
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