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ChemSpider 2D Image | (2R)-2-Hydroxy-3-(methylsulfanyl)-3-oxopropyl phosphate | C4H7O6PS

(2R)-2-Hydroxy-3-(methylsulfanyl)-3-oxopropyl phosphate

  • Molecular FormulaC4H7O6PS
  • Average mass214.135 Da
  • Monoisotopic mass213.971191 Da
  • ChemSpider ID26330828
  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-Hydroxy-3-(methylsulfanyl)-3-oxopropyl phosphate [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-(methylsulfanyl)-3-oxopropylphosphat [German] [ACD/IUPAC Name]
Phosphate de (2R)-2-hydroxy-3-(méthylsulfanyl)-3-oxopropyle [French] [ACD/IUPAC Name]
Propanethioic acid, 2-hydroxy-3-(phosphonooxy)-, S-methyl ester, ion(2-), (2R)- [ACD/Index Name]
(2R)-2-hydroxy-1-(methylsulfanyl)-3-(phosphonatooxy)propan-1-one
(2R)-S-methyl-3-phospho-1-thioglycerate
S-methyl 3-O-phosphonato-1-thio-D-glycerate(2-)
S-methyl-3-phospho-1-thio-D-glycerate
  • Miscellaneous
    • Chemical Class:

      Dianion of S-methyl 3-phospho-1-thio-D-glycerate arising from deprotonation of both OH groups of the phosphate. ChEBI CHEBI:57551

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 438.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±6.0 kJ/mol
Flash Point: 219.0±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.91
ACD/LogD (pH 5.5): -4.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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