Basic information
- CAS
134935-14-1- Standard SMILES
Cc1cn([C@@H]2O[C@H](CO)C[C@H]2N2CCC(C)CC(C)(C)C2)c(=O)[nH]c1=O- InChIKey
AEZQFEBZIDMSFQ-XQKIXBLGSA-N- Molecular formula
- C19H31N3O4
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.23145648
Names & identifiers
- Preferred name
- 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine
- IUPAC
- 1-[(2R,3R,5S)-5-(hydroxymethyl)-3-(3,3,5-trimethylazepan-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
(TriMeHexaCH2imino)dT2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine134935-14-1Uridine, 2',3'-dideoxy-2'-(hexahydro-3,3,5-trimethyl-1H-azepin-1-yl)-5-methyl-DTXSID409288301-[(2R,3R,5S)-5-(hydroxymethyl)-3-(3,3,5-trimethylazepan-1-yl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione1-[2,3-Dideoxy-2-(3,3,5-trimethylazepan-1-yl)-beta-D-erythro-pentofuranosyl]-4-hydroxy-5-methylpyrimidin-2(1H)-one1-[2,3-Dideoxy-2-(3,3,5-trimethylazepan-1-yl)pentofuranosyl]-4-hydroxy-5-methylpyrimidin-2(1H)-one
Database identifiers
- CAS
134935-14-1- PubChem CID
- 452805
- DTXSID
DTXSID40928830
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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