Basic information
- CAS
26194-89-8- Standard SMILES
Cc1cn([C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O- InChIKey
ODSQODTUNULBHF-JGVFFNPUSA-N- Molecular formula
- C10H15N2O13P3
- Average molar mass
- 464.15 g/mol
- Monoisotopic mass
- 463.97869953
Overview
shows termination substrate properties in DNA synthesis catalyzed by several different DNA polymerases; also abbreviated d4TTP
Names & identifiers
- Preferred name
- 2',3'-Dideoxy-2',3'-dehydrothymidine 5'-triphosphate
- IUPAC
- [hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
- English name
- 2',3'-dideoxy-2',3'-dehydrothymidine 5'-triphosphate
- Molecular formula
- C10H15N2O13P3
- Molecular weight
- 464.15
Names & synonyms
Stavudine triphosphateD4TTP26194-89-82,3-Ddddttp2',3'-Dideoxy-2',3'-dehydrothymidine 5'-triphosphate1ZP0VJ751GDTXSID101808222',3'-Dedehydro-2',3'-dideoxythymidine triphosphateThymidine 5'-(tetrahydrogen triphosphate), 2',3'-didehydro-3'-deoxy-RefChem:185389DTXCID50103313((hydroxy(((hydroxy((((2S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,5-dihydrofuran-2-yl)methoxy))phosphoryl)oxy))phosphoryl)oxy)phosphonic acid
Show more names
Stavudine-O-triphosphate D33H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-5-sulfo-2H-indol-2-ylidene)-1-propen-1-yl]-1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-3,3-dimethyl-5-sulfo-, inner salt, sodium salt (1:1) (ACI)
CHEMBL4856522',3'-Didehydro-3'-deoxythymidine 5'-triphosphateDddttpThymine, 1-(2,3-dideoxy-.beta.-D-glycero-pent-2-enofuranosyl)-, 5'-(tetrahydrogen triphosphate)d4T-TPddeTTP[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphateorb63245
Database identifiers
- CAS
26194-89-8- PubChem CID
- 65355
- DTXSID
DTXSID10180822- ChEMBL
CHEMBL485652- UNII
- 1ZP0VJ751G
- Nikkaji
- J448.139I
Properties
Computed structural properties
- XLogP
- -4.1
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 863
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.878 · 1.878±0.06 g/cm3(Predicted)
- pka
- 0.79 · 0.79±0.50(Predicted)
- FDA UNII
- 1 ZP0VJ751G · 1ZP0VJ751G
Chemistry & industry
Suppliers2 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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