Cyclo-ctp

HCID 192070

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Basic information

CAS: 76248-24-3
Standard SMILES: Cl.N=c1nc2n(cc1O)[C@H]1O[C@@H](CP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1O2
InChIKey: LAQPFDHWOCALOG-HZBXEUFMSA-N
Molecular formula: C9H15ClN3O13P3
Average molar mass: 501.6 g/mol
Monoisotopic mass: 500.9506262

Overview

structure

Names & identifiers

Preferred name: Cyclo-ctp
IUPAC: [(2S,4R,5R,6R)-5,11-dihydroxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid;hydrochloride

Names & synonyms

Cyclocytidine 5'-triphosphateCyclo-ctp76248-24-3Triphosphoric acid, P-((2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-6H-furo(2',3':4,5)oxazolo(3,2-a)pyrimidin-2-yl)methyl) ester, monohydrochloride, (2R-(2alpha,3beta,3abeta,9abeta))-RefChem:129344[(2S,4R,5R,6R)-5,11-dihydroxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid;hydrochloride

Database identifiers

CAS: 76248-24-3
PubChem CID: 192070

Properties

Computed structural properties

Topological polar surface area: 249 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 14
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 0
Complexity: 897

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