Basic information
- CAS
73851-57-7- Standard SMILES
Nc1ncnc2c1c1c(=O)[nH]c(=O)[nH]c1n2C1OC(CO)C(O)C1O- InChIKey
PCAZZGMLVCFODV-UHFFFAOYSA-N- Molecular formula
- C13H14N6O6
- Average molar mass
- 350.29 g/mol
- Monoisotopic mass
- 350.09748219
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),9,11-tetraene-3,5-dione
- 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),9,11-tetraene-3,5-dione
Names & synonyms
NSC31262373851-57-7DTXSID60317202NSC-3126231H-Pyrrolo[2,4-d']dipyrimidine-2,4(3H,9H)-dione, 5-amino-9-.beta.-D-ribofuranosyl-5-Amino-9-pentofuranosyl-1H-pyrrolo[2,3-d:5,4-d']dipyrimidine-2,4(3H,9H)-dione
Database identifiers
- CAS
73851-57-7- PubChem CID
- 329487
- DTXSID
DTXSID60317202
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 579
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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