Basic information
- Standard SMILES
Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1- InChIKey
RGWHQCVHVJXOKC-UHFFFAOYSA-N- Molecular formula
- C9H16N3O13P3
- Average molar mass
- 467.16 g/mol
- Monoisotopic mass
- 466.98959857
Overview
dCTP is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- 4-Amino-1-(2-deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphoryl)oxy)phosphoryl)pentofuranosyl)pyrimidin-2(1H)-one
- IUPAC
- [[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Names & synonyms
[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate4-Amino-1-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]pyrimidin-2(1H)-one((5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) phosphono hydrogen phosphate4-Amino-1-(2-deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphoryl)oxy)phosphoryl)pentofuranosyl)pyrimidin-2(1H)-oneRefChem:289714SCHEMBL12729518DTXSID00862822PD041655
Database identifiers
- PubChem CID
- 625
- DTXSID
DTXSID00862822
Properties
Computed structural properties
- XLogP
- -5.6
- Topological polar surface area
- 248 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 823
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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