dTDP-4-dehydro-6-deoxy-alpha-D-glucose
Basic information
- CAS
16752-71-9- Standard SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](C)C(=O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=O- InChIKey
PSXWNITXWWECNY-UCBTUHGZSA-N- Molecular formula
- C16H24N2O15P2
- Average molar mass
- 546.31 g/mol
- Monoisotopic mass
- 546.06519206
Overview
DTDP-4-dehydro-6-deoxy-alpha-D-glucose is a dTDP-sugar having 4-dehydro-6-deoxy-alpha-D-glucose as the sugar component. It is an intermediate in dTDP-rhamnose biosynthesis. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is functionally related to a dTDP-D-glucose. It is a conjugate acid of a dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-).
Names & identifiers
- Preferred name
- dTDP-4-dehydro-6-deoxy-alpha-D-glucose
- IUPAC
- [(2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
- English name
- Thymidine 5'-(trihydrogen diphosphate) P'-(6-deoxy-alpha-D-xylo-hexopyranos-4-ulos-1-yl) ester
- Molecular formula
- C16H24N2O15P2
- Molecular weight
- 546.31
Names & synonyms
dTDP-4-dehydro-6-deoxy-alpha-D-glucosedTDP-4-dehydro-6-deoxy-D-glucosedTDP-4-oxo-6-deoxy-D-glucosedTDP-6-deoxy-alpha-D-xylo-4-hexulosedTDP-6-deoxy-alpha-D-xylo-hex-4-uloseCHEBI:16128dTDP-6-deoxy-D-xylo-hexos-4-ulose[(2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphatethymidine 5'-[3-(6-deoxy-alpha-D-xylo-hexopyranosyl-4-ulose) dihydrogen diphosphate]thymidine 5'-(3-(6-deoxy-alpha-D-xylo-hexopyranosyl-4-ulose) dihydrogen diphosphate)((2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl) (hydroxy-(((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl)methoxy)phosphoryl) hydrogen phosphateRefChem:135889
Show more names
dTDP-6-deoxy-4-keto-alpha-D-glucoseThymidine 5'-diphosphate 4-keto-6-deoxy-D-glucoseThymidine-5'-diphosphate-4-keto-6-deoxy-D-glucose disodium salt
Properties
Computed structural properties
- XLogP
- -4.4
- Topological polar surface area
- 248 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 1,000
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Density
- 1.78 · 1.78±0.1 g/cm3(Predicted)
- pka
- 1.01 · 1.01±0.50(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…