Basic information
- CAS
190079-18-6- Standard SMILES
CC(=O)[C@@H](O)[C@H](O)COP(=O)(O)O- InChIKey
AJPADPZSRRUGHI-RFZPGFLSSA-N- Molecular formula
- C5H11O7P
- Average molar mass
- 214.11 g/mol
- Monoisotopic mass
- 214.02423968
Overview
1-deoxy-D-xylulose 5-phosphate is the 5-phospho derivative of 1-deoxy-D-xylulose. It has a role as an Escherichia coli metabolite. It is functionally related to a D-xylulose. It is a conjugate acid of a 1-deoxy-D-xylulose 5-phosphate(2-).
Names & identifiers
- Preferred name
- 1-Deoxy-D-xylulose 5-phosphate
- IUPAC
- [(2R,3S)-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate
- English name
- (2,3-dihydroxy-4-oxo-pentoxy)phosphonic acid
- Molecular formula
- C5H11O7P
- Molecular weight
- 214.11
Names & synonyms
1-deoxy-D-xylulose 5-phosphate190079-18-6deoxyxylulose phosphateI4C288B3TN[(2R,3S)-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphateCHEBI:16493(((2R,3S)-2,3-Dihydroxy-4-oxopentyl)oxy)phosphonic acidD-Threo-2-pentulose, 1-deoxy-, 5-(dihydrogen phosphate){[(2R,3S)-2,3-dihydroxy-4-oxopentyl]oxy}phosphonic acid((2R,3S)-2,3-dihydroxy-4-oxopentyl) dihydrogen phosphateRefChem:432065DOXP
Show more names
1-Deoxy-D-xylulose 5-phosphate (DXP)1-Deoxy-D-xylulose-5-phosphate sodium salt
1-DEOXY-D-XYLULOSE-5-PHOSPHATE1-deoxy-5-O-phosphono-D-xylulose(2,3-DIHYDROXY-4-OXO-PENTOXY)PHOSPHONIC ACIDD-1-deoxyxylulose-5-Pdeoxyxylulose-5-phosphate(2R,3S)-2,3-dihydroxy-4-oxopentyl dihydrogen phosphate1-deoxy-D-threo-pentulose 5-phosphate1-deoxylulose 5-phosphate
Database identifiers
- CAS
190079-18-6- PubChem CID
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Collision Cross Section134.48 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physicochemical properties
- Boiling point
- 528.9 · 528.9±60.0 °C(Predicted)
- Density
- 1.653 · 1.653±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- form
- powder
- pka
- 1.82 · 1.82±0.10(Predicted)
- color
- white
- optical activity
- 37 · [α]/D 37.0±3.0°, c = 0.1 in 0.1 M HCl
- BRN
- 8367371 · 8367371
- InChI
- 1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1
- InChIKey
- AJPADPZSRRUGHI-RFZPGFLSSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses1-Deoxy-D-xylulose 5-Phosphate is a precursor metabolite of the 2C-Methyl-D-erythritol-4-phosphate (MEP) pathway, from the simple and renewable starting materials D-arabinose and hydroxyacetone.
Suppliers7 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
四川恒诚致远生物科技有限公司18113192475 18113192475 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: 1-deoxy-D-xylulose 5-phosphate is the 5-phospho derivative of 1-deoxy-D-xylulose. It has a role as an Escherichia coli metabolite. It is functionally related to a D-xylulose. It is a conjugate acid of a 1-deoxy-D-xylulose 5-phosphate(2-).
Related reactions
0 records
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Compound notes
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