[3,4-Diacetyloxy-5-(3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-10-yl)oxolan-2-yl]methyl acetate
Basic information
- CAS
79974-31-5- Standard SMILES
CC(=O)OCC1OC(n2ncc3c2N=CN2CCN=C32)C(OC(C)=O)C1OC(C)=O- InChIKey
UEIZGAVUQISYCZ-UHFFFAOYSA-N- Molecular formula
- C18H21N5O7
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.14409803
Names & identifiers
- Preferred name
- [3,4-Diacetyloxy-5-(3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-10-yl)oxolan-2-yl]methyl acetate
- IUPAC
- [3,4-diacetyloxy-5-(3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-10-yl)oxolan-2-yl]methyl acetate
Names & synonyms
NSC27984579974-31-5DTXSID80314016NSC-2798457-(2,3,5-Tri-O-acetylpentofuranosyl)-2,7-dihydro-3H-imidazo[1,2-c]pyrazolo[4,3-e]pyrimidine
Database identifiers
- CAS
79974-31-5- PubChem CID
- 322408
- DTXSID
DTXSID80314016
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 787
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Compound notes
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