Basic information
- CAS
175912-34-2- Standard SMILES
C[C@]1(Br)C(N)=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)[C@@H]1O- InChIKey
YITZCZFOSGQIGA-FZCTVIHWSA-N- Molecular formula
- C10H16BrN3O5
- Average molar mass
- 338.16 g/mol
- Monoisotopic mass
- 337.02733
Names & identifiers
- Preferred name
- 5-Bromo-2'-deoxy-6-hydroxy-5-methylcytidine
- IUPAC
- (4R,5S)-6-amino-5-bromo-4-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4H-pyrimidin-2-one
Names & synonyms
AC1LD6RZ5-bromo-2'-deoxy-6-hydroxy-5-methylcytidineDTXSID30349131cytidine, 5-bromo-2'-deoxy-6-hydroxy-5-methyl-5-Bromo-2'-deoxy-6-hydroxy-5-methyl-5,6-dihydrocytidineInChI=1/C10H16BrN3O5/c1-10(11)7(12)13-9(18)14(8(10)17)6-2-4(16)5(3-15)19-6/h4-6,8,15-17H,2-3H2,1H3,(H2,12,13,18)/t4-,5+,6+,8+,10-/m0/s
Database identifiers
- CAS
175912-34-2- PubChem CID
- 643236
- DTXSID
DTXSID30349131
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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