Bromodeoxyuridine triphosphate
Basic information
- CAS
102212-99-7- Standard SMILES
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)cc1Br- InChIKey
BLQCQNFLEGAHPA-RRKCRQDMSA-N- Molecular formula
- C9H14BrN2O14P3
- Average molar mass
- 547.04 g/mol
- Monoisotopic mass
- 545.88413
Names & identifiers
- Preferred name
- Bromodeoxyuridine triphosphate
- IUPAC
- [[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- English name
- bromodeoxyuridine triphosphate
- Molecular formula
- C9H14BrN2O14P3
- Molecular weight
- 547.04
Names & synonyms
Brdutp18736-53-35-Bromodeoxyuridine triphosphateBromodeoxyuridine triphosphateRefChem:121576102212-99-75-Bromo-2'-deoxyuridine 5'-triphosphate sodium salt[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate5Br-dUTP5-bromo-2'-deoxyuridine 5'-triphosphate5-BrdUTPorb65040
Show more names
Uridine 5'-(tetrahydrogen triphosphate), 5-bromo-2'-deoxy-
SCHEMBL1500295-Bromo-2'-deoxyuridine-5'-triphosphate sodium saltorb1734074orb2646502DTXSID30940203BLQCQNFLEGAHPA-RRKCRQDMSA-NNB31486PD148794
Database identifiers
- CAS
102212-99-7、18736-53-3- PubChem CID
- 65267
- DTXSID
DTXSID30940203- EC Number
- 621-044-2
- Nikkaji
- J312.568H
Properties
Computed structural properties
- XLogP
- -4.1
- Topological polar surface area
- 239 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 857
Physicochemical properties
- Density
- 2.231 · 2.231±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.796 · 0.796±0.50(predicted)
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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Compound notes
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