2',3',5'-Trideoxyadenosine
Basic information
- CAS
6612-70-0- Standard SMILES
C[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)O1- InChIKey
PSPPXRNUZVTTON-RNFRBKRXSA-N- Molecular formula
- C10H13N5O
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.11201004
Names & identifiers
- Preferred name
- 2',3',5'-Trideoxyadenosine
- IUPAC
- 9-[(2R,5R)-5-methyloxolan-2-yl]purin-6-amine
- English name
- 2',3',5'-trideoxyadenosine
- Molecular formula
- C10H13N5O
- Molecular weight
- 219.24
Names & synonyms
2',3',5'-Trideoxyadenosine6612-70-043XPX901BBAdenosine, 2',3',5'-trideoxy-DTXSID40216320SQ 22538SQ-22538RefChem:80013DTXCID401388119-[(2R,5R)-5-methyloxolan-2-yl]purin-6-amine9-((2R,5R)-5-Methyltetrahydrofuran-2-yl)-9H-purin-6-amineDidanosine EP Impurity H
Show more names
Adenosine, 2',3',5'-trideoxy- (7CI,8CI,9CI)Didanosine Impurity 8（Didanosine EP Impurity H）
9-[(2R,5R)-5-methyloxolan-2-yl]-9H-purin-6-amine9-(TETRAHYDRO-5-METHYL-2-FURYL)ADENINEUNII-43XPX901BBtridesoxyadenosineDIDANOSINE IMPURITY HSCHEMBL7151977DIDANOSINE IMPURITY H [EP IMPURITY]Q27258675
Database identifiers
- CAS
6612-70-0- PubChem CID
- 65165
- DTXSID
DTXSID40216320- UNII
- 43XPX901BB
- Nikkaji
- J1.099.263J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- FDA UNII
- 43 XPX901BB · 43XPX901BB
Chemistry & industry
Applications
Uses9-(Tetrahydro-5-methyl-2-furyl)adenine (Didanosine EP Impurity H) is an impurity of Didanosine (D440950), which used as an antiviral agent. Classed as an anti-retroviral drug used in the treatment of HIV in ART therapy, it also may increase acetaminophen related hepatotoxicity by enhancing mitochrondrial dysfunction (2).
Related reactions
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Compound notes
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