1-Acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate
Basic information
- CAS
13144-03-1- Standard SMILES
CC(=O)OCC1C(OC(C)=O)C(OC(C)=O)C(n2cnc3c(N)ncnc32)N1C(C)=O- InChIKey
BFPSTZZUEPACCS-UHFFFAOYSA-N- Molecular formula
- C18H22N6O7
- Average molar mass
- 434.4 g/mol
- Monoisotopic mass
- 434.15499706
Names & identifiers
- Preferred name
- 1-Acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate
- IUPAC
- [1-acetyl-3,4-diacetyloxy-5-(6-aminopurin-9-yl)pyrrolidin-2-yl]methyl acetate
Names & synonyms
NSC10717813144-03-11-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetateDTXSID30296030NSC-107178[3,4-diacetoxy-1-acetyl-5-(6-aminopurin-9-yl)pyrrolidin-2-yl]methyl acetate3,4-Pyrrolidinediol, 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9H-purin-9-yl)-, diacetate (ester)
Database identifiers
- CAS
13144-03-1- PubChem CID
- 267644
- DTXSID
DTXSID30296030
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 736
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Compound notes
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