Basic information
- CAS
134935-11-8- Standard SMILES
Cc1cn([C@@H]2O[C@H](CO)C[C@H]2N2CCCCCC2)c(=O)[nH]c1=O- InChIKey
HPLKCFGKGZMNSE-GZBFAFLISA-N- Molecular formula
- C16H25N3O4
- Average molar mass
- 323.39 g/mol
- Monoisotopic mass
- 323.18450629
Names & identifiers
- Preferred name
- Uridine, 2',3'-dideoxy-2'-(hexahydro-1H-azepin-1-yl)-5-methyl-
- IUPAC
- 1-[(2R,3R,5S)-3-(azepan-1-yl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
2'HexaCH2imino-dT134935-11-82'-Hexamethyleneimino-3'-deoxythymidineUridine, 2',3'-dideoxy-2'-(hexahydro-1H-azepin-1-yl)-5-methyl-DTXSID801591412'-(Azepan-1-yl)-3'-deoxythymidineUridine, 2',3'-dideoxy-2'-(hexahydro-1H-azepin-1-yl)-5-methyl- (9CI)1-[(2R,3R,5S)-3-(azepan-1-yl)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Database identifiers
- CAS
134935-11-8- PubChem CID
- 452802
- DTXSID
DTXSID80159141
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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