ChemSpider 2D Image | 1-S-Methyl-5-O-phosphonato-1-thio-D-ribulose | C6H11O7PS

1-S-Methyl-5-O-phosphonato-1-thio-D-ribulose

  • Molecular FormulaC6H11O7PS
  • Average mass258.187 Da
  • Monoisotopic mass257.997406 Da
  • ChemSpider ID34999756

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-S-Methyl-5-O-phosphonato-1-thio-D-ribulose [ACD/IUPAC Name]
1-S-Méthyl-5-O-phosphonato-1-thio-D-ribulose [French] [ACD/IUPAC Name]
D-erythro-2-Pentulose, 1-S-methyl-1-thio-, 5-(dihydrogen phosphate), ion(2-) [ACD/Index Name]
1-(methylthio)ribulose 5-phosphate(2-)
1-methylsulfanyl-D-ribulose 5-phosphate
S-methyl-1-thiol-D-ribulose 5-phosphate
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 1-(methylthio)ribulose 5-phosphate; major species at pH 7.3. ChEBI CHEBI:85606

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

Density:
Boiling Point: 579.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.5±6.0 kJ/mol
Flash Point: 304.2±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -5.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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