Basic information
- Standard SMILES
Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O- InChIKey
UJLXYODCHAELLY-UHFFFAOYSA-N- Molecular formula
- C10H16N2O11P2
- Average molar mass
- 402.19 g/mol
- Monoisotopic mass
- 402.02293333
Overview
thymidine diphosphate has been reported in Homo sapiens and Escherichia coli with data available.
Names & identifiers
- Preferred name
- 1-{2-Deoxy-5-o-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione
- IUPAC
- [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Names & synonyms
1-{2-deoxy-5-o-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate(3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl)methyl phosphono hydrogen phosphate1-(2-Deoxy-5-o-(hydroxy(phosphonooxy)phosphoryl)pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dioneRefChem:223413[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-oxolan-2-yl]methoxy]phosphoryl]oxyphosphonic acidthymidine-5'- diphosphateDTXSID60862025
Database identifiers
- PubChem CID
- 1124
- DTXSID
DTXSID60862025
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 688
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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