2-(3-Amino-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
73851-58-8- Standard SMILES
Nc1ncnc2c1c1cncnc1n2C1OC(CO)C(O)C1O- InChIKey
OPFZRLMDWPWDKM-UHFFFAOYSA-N- Molecular formula
- C13H14N6O4
- Average molar mass
- 318.29 g/mol
- Monoisotopic mass
- 318.10765295
Names & identifiers
- Preferred name
- 2-(3-Amino-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-(3-amino-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
NSC31013573851-58-8DTXSID90317018NSC-3101359-Pentofuranosyl-9H-pyrrolo[2,3-d:5,4-d']dipyrimidin-4-amine
Database identifiers
- CAS
73851-58-8- PubChem CID
- 329044
- DTXSID
DTXSID90317018
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 445
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Related reactions
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Compound notes
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