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Search term: LMTGTTLGDUACSJ-NNPWBXLPSA-J (Found by InChIKey (full match))

ChemSpider 2D Image | (5R)-5-[(1R)-1-Hydroxy-2-(phosphonatooxy)ethyl]-1-O-phosphonato-D-lyxopyranose | C7H12O13P2

(5R)-5-[(1R)-1-Hydroxy-2-(phosphonatooxy)ethyl]-1-O-phosphonato-D-lyxopyranose

  • Molecular FormulaC7H12O13P2
  • Average mass366.112 Da
  • Monoisotopic mass365.977509 Da
  • ChemSpider ID26331766
  • Charge - Charge

    defined stereocentres - 5 of 6 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5R)-5-[(1R)-1-Hydroxy-2-(phosphonatooxy)ethyl]-1-O-phosphonato-D-lyxopyranose [German] [ACD/IUPAC Name]
(5R)-5-[(1R)-1-Hydroxy-2-(phosphonatooxy)ethyl]-1-O-phosphonato-D-lyxopyranose [ACD/IUPAC Name]
(5R)-5-[(1R)-1-Hydroxy-2-(phosphonatooxy)éthyl]-1-O-phosphonato-D-lyxopyranose [French] [ACD/IUPAC Name]
D-glycero-D-manno-Heptopyranose, 1,7-bis(dihydrogen phosphate), ion(4-) [ACD/Index Name]
D-Glycero-D-manno-heptose 1,7-bisphosphate
D-glycero-D-manno-heptose 1,7-bisphosphate(4-)
  • Miscellaneous
    • Chemical Class:

      The tetra-anion obtained by removal of all of the protons from the phosphate groups of D-glycero-D-manno-heptose 1,7-bisphosphate. ChEBI CHEBI:59957

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 790.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±6.0 kJ/mol
Flash Point: 431.7±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.05
ACD/LogD (pH 5.5): -8.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability:
Surface Tension:
Molar Volume:

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