Basic information
- CAS
106094-52-4- Standard SMILES
CC1(O)C(=O)NC(=O)N([C@@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C1O- InChIKey
IJWFNGSBJBRLIA-IKGVZUFCSA-N- Molecular formula
- C10H19N2O16P3
- Average molar mass
- 516.18 g/mol
- Monoisotopic mass
- 515.99474352
Overview
RN & structure given in first source; RN not in Chemline 5/87; substrate for E coli polymerase I
Names & identifiers
- Preferred name
- Thymidine glycol 5'-triphosphate
- IUPAC
- [[(2R,3S,5S)-5-(5,6-dihydroxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- English name
- thymidine glycol 5'-triphosphate
- Molecular weight
- 0
Names & synonyms
Dttp-glyThymidine glycol 5'-triphosphate106094-52-4RefChem:1898435,6-Dihydro-5,6-dihydroxythymidine 5'-(tetrahydrogen triphosphate)DTXSID30909916Thymidine 5'-(tetrahydrogen triphosphate), 5,6-dihydro-5,6-dihydroxy-1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-alpha-D-erythro-pentofuranosyl]-4,5,6-trihydroxy-5-methyl-5,6-dihydropyrimidin-2(1H)-one1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-4,5,6-trihydroxy-5-methyl-5,6-dihydropyrimidin-2(1H)-one
Database identifiers
- CAS
106094-52-4- PubChem CID
- 129192
- DTXSID
DTXSID30909916
Properties
Computed structural properties
- XLogP
- -6.2
- Topological polar surface area
- 279 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 876
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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