Basic information
- CAS
73898-16-5- Standard SMILES
Nc1ccn([C@H]2C[C@H](OP(=O)(O)OP(=O)(O)O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1- InChIKey
BRBXPDOLAZFLHD-SHYZEUOFSA-N- Molecular formula
- C9H18N3O19P5
- Average molar mass
- 627.12 g/mol
- Monoisotopic mass
- 626.92226034
Overview
synthesized by enzymatic transfer of 5'-beta,gamma-pyrophosphoryl group from dATP
Names & identifiers
- Preferred name
- Deoxycytidine-5'-tri-3'-diphosphate
- IUPAC
- [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
Names & synonyms
Deoxycytidine-5'-tri-3'-diphosphate73898-16-5Cytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-, 3'-(trihydrogen diphosphate)RefChem:131940[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-oxolanyl] phosphono hydrogen phosphateDTXSID109950341-{2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-[hydroxy(phosphonooxy)phosphoryl]-beta-D-erythro-pentofuranosyl}-4-imino-1,4-dihydropyrimidin-2-ol1-{2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-4-imino-1,4-dihydropyrimidin-2-ol
Database identifiers
- CAS
73898-16-5- PubChem CID
- 192037
- DTXSID
DTXSID10995034
Properties
Computed structural properties
- XLogP
- -7.7
- Topological polar surface area
- 341 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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