1-Deoxy-5-O-Phosphono-D-Xylulose
[CAS# 190079-18-6]

Identification

• Name: 1-Deoxy-5-O-Phosphono-D-Xylulose
• Synonyms: (2R,3S)-2,3-Dihydroxy-4-oxopentyl dihydrogen phosphate; 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE; 1-deoxy-D-xylulose 5-(dihydrogen phosphate)
• Molecular Formula: C₅H₁₁O₇P
• Molecular Weight: 214.11
• CAS Registry Number: 190079-18-6
• SMILES: CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O
• 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

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 528.9±60.0°C at 760 mmHg (Cal.)
• Flash point: 273.7±32.9°C (Cal.)
• Refractive index: 1.529 (Cal.)

References

• (1): Jenkins et al.. A New Thiamin Salvage Pathway, Nature Chemical Biology, 2007