Basic information
- CAS
3731-55-3- 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)cc1I- InChIKey
ZWDWDTXYXXJLJB-RRKCRQDMSA-N- Molecular formula
- C9H14IN2O14P3
- Average molar mass
- 594.04 g/mol
- Monoisotopic mass
- 593.87026
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate)
- IUPAC
- [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
- English name
- 5-iodo-2'-deoxyuridine triphosphate
- Molecular formula
- C9H14IN2O14P3
- Molecular weight
- 594.04
Names & synonyms
3731-55-35-Iodo-2'-deoxyuridine triphosphate2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate)RefChem:102953dIUTP[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate5-iodo-2'-deoxyuridine 5'-triphosphate5I-dUTPorb64968SCHEMBL151910orb1734083DTXSID20958438
Show more names
5-Iodo-dUTPIdUTP,5-iodo-2'-deoxyuridinetriphosphate5-iodo-deoxyuridine-5'-triphosphate,trisodium salt5-Iodo-2'-deoxyuridine Triphosphate Tetralithium SaltUridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-iodo-
ND314842'-Deoxy-5-iodouracil 5'-triphosphate2'-Deoxy-5-iodouridine-5'-triphosphate sodium salt - 10mM aqueous solution3731-55-3; 478843-67-3 (Et3NH+); 73431-55-7 (Na+)[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-4-hydroxy-5-iodopyrimidin-2(1H)-one1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-4-hydroxy-5-iodopyrimidin-2(1H)-one2 inverted exclamation marka-Deoxy-5-iodouridine 5 inverted exclamation marka-(tetrahydrogen triphosphate)
Properties
Computed structural properties
- XLogP
- -4.8
- 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
- 2.35 · 2.35±0.1 g/cm3(Predicted)
- pka
- 0.8 · 0.80±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
安徽仕通生物科技有限公司15555170917 · [email protected]
天津全和诚科技有限责任公司18630949181 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…