Metabolite D-Xylulose-5-phosphate
- Name
- D-Xylulose-5-phosphate
- Description
- Not Available
- Structure
Structure for D-Xylulose-5-phosphate
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 228.094
Monoisotopic: 228.004601408 - Chemical Formula
- C5H9O8P
- InChI Key
- FNZLKVNUWIIPSJ-WHFBIAKZSA-L
- InChI
- InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/p-2/t4-,5-/m0/s1
- IUPAC Name
- (3R,4S)-1,3,4-trihydroxy-5-(phosphonooxy)pentan-2-one
- SMILES
- OCC(=O)[C@H](O)[C@@H](O)COP([O-])([O-])=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 139.27785 predictedDeepCCS 1.0 (2019) [M+H]+ 141.873 predictedDeepCCS 1.0 (2019) [M+Na]+ 149.9702 predictedDeepCCS 1.0 (2019) - External Links
- Predicted Properties
Property Value Source Water Solubility 62.3 mg/mL ALOGPS logP -1.9 ALOGPS logP -2.8 Chemaxon logS -0.63 ALOGPS pKa (Strongest Acidic) 1.48 Chemaxon pKa (Strongest Basic) -3.3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 150.18 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 40.23 m3·mol-1 Chemaxon Polarizability 17.78 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon