Basic information
- CAS
74754-51-1- Standard SMILES
Nc1ncnc2c1c1cnc(=O)[nH]c1n2C1OC(CO)C(O)C1O- InChIKey
KGWVNNLMFUXPTP-UHFFFAOYSA-N- Molecular formula
- C13H14N6O5
- Average molar mass
- 334.29 g/mol
- Monoisotopic mass
- 334.10256757
Names & identifiers
- Preferred name
- 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one
- IUPAC
- 13-amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one
Names & synonyms
NSC31367474754-51-1DTXSID60317267NSC-3136745-Amino-9-pentofuranosyl-1,9-dihydro-2H-pyrrolo[2,3-d:5,4-d']dipyrimidin-2-one
Database identifiers
- CAS
74754-51-1- PubChem CID
- 329655
- DTXSID
DTXSID60317267
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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