2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate)
Basic information
- CAS
31747-59-8- Standard SMILES
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)cc1I- InChIKey
OOMLBPVHGFQCCL-RRKCRQDMSA-N- Molecular formula
- C9H15IN3O13P3
- Average molar mass
- 593.05 g/mol
- Monoisotopic mass
- 592.88625
Overview
5-iododeoxycytidine triphosphate is a 2'-deoxycytidine phosphate that is 2'-deoxycytidine-5'-triphosphate in which the hydrogen at position 5 on the cytosine ring is replaced by iodine. It is a 2'-deoxycytidine phosphate and an organoiodine compound. It is functionally related to a dCTP.
Names & identifiers
- Preferred name
- 2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate)
- IUPAC
- [[(2R,3S,5R)-5-(4-amino-5-iodo-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- English name
- 5-Iodo-2'-deoxycytidine 5'-triphosphate sodium
- Molecular formula
- C9H15IN3O13P3
- Molecular weight
- 593.05
Names & synonyms
IdCTP31747-59-85-Iodocytosine deoxyribonucleoside triphosphate2'-deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate)RefChem:4396235-iododeoxycytidine triphosphate5-iodo-dCTP((2R,3S,5R)-5-(4-Amino-5-iodo-2-oxopyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate[[(2R,3S,5R)-5-(4-amino-5-iodo-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate5-iododeoxycytidine-5'-triphosphate5-iodo-2'-deoxycytidine-5'-triphosphate5-Iodo-2'-deoxycytidine 5'-triphosphate sodium
Show more names
5-iodocytosinedeoxyribonucleosidetriphosphate5-IODO-2'-DEOXYCYTIDINE 5'-TRIPHOSPHATE SODIUM SA...[(2R,3S,5R)-5-[6-[(Z)-6-aminohexylideneamino]purin-9-yl]-3-h
orb64969SCHEMBL149625orb1734070orb3143242CHEBI:86351DTXSID80953681Cytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-iodo-TSW-01094
Properties
Computed structural properties
- XLogP
- -4.8
- Topological polar surface area
- 248 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 873
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H301-H335-H331-H315-H311
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25-36/37/38
- Safety Statements
- 22 · 22-26-36-45
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- risk_code
- 23/24/25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 22-26-36-45
- Hazard statements
- H319-H301-H335-H331-H315-H311
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Additional notes
DefinitionChEBI: A 2'-deoxycytidine phosphate that is 2'-deoxycytidine-5'-triphosphate in which the hydrogen at position 5 on the cytosine ring is replaced by iodine.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…