9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(methylamino)-1H-purin-2-one
Basic information
- CAS
23605-76-7- Standard SMILES
CNc1[nH]c(=O)nc2c1ncn2C1OC(CO)C(O)C1O- InChIKey
QMWVIXZLTJBXAZ-UHFFFAOYSA-N- Molecular formula
- C11H15N5O5
- Average molar mass
- 297.27 g/mol
- Monoisotopic mass
- 297.1073186
Names & identifiers
- Preferred name
- 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(methylamino)-1H-purin-2-one
- IUPAC
- 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(methylamino)-1H-purin-2-one
- English name
- 6-Methylamino-9-β-D-ribofuranosyl-9H-purin-2(1H)-one
- Molecular formula
- C11H15N5O5
- Molecular weight
- 297.27
Names & synonyms
NSC33777623605-76-7DTXSID40318858NSC-3377766-Methylamino-9-beta-D-ribofuranosyl-9H-purin-2(1H)-one6-(Methylamino)-9-pentofuranosyl-1,9-dihydro-2H-purin-2-oneN-MethylisoguanosineAdenosine, 2,3-dihydro-N-methyl-2-oxo-6-Methylamino-9-β-D-ribofuranosyl-9H-purin-2(1H)-one
Database identifiers
- CAS
23605-76-7- PubChem CID
- 333791
- DTXSID
DTXSID40318858
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 559
Physicochemical properties
- Density
- 2 · 2.00±0.1 g/cm3(Predicted)
- pka
- 8.49 · 8.49±0.40(Predicted)
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Compound notes
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