Basic information
- CAS
55470-37-6- Standard SMILES
Nc1ncnc2c1c(-c1ncn[nH]1)cn2C1OC(CO)C(O)C1O- InChIKey
QUSHDXFPCTUCKJ-UHFFFAOYSA-N- Molecular formula
- C13H15N7O4
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.11855199
Names & identifiers
- Preferred name
- 2-[4-amino-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-[4-amino-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
55470-37-6NSC150422DTXSID90970809NSC-1504227H-Pyrrolo[2, 4-amino-7-.beta.-D-ribofuranosyl-5-s-triazol-3-yl-7-Pentofuranosyl-5-(1H-1,2,4-triazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Database identifiers
- CAS
55470-37-6- PubChem CID
- 289028
- DTXSID
DTXSID90970809
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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