ChemSpider 2D Image | 1-(methylthio)ribulose 5-phosphate | C6H13O7PS

1-(methylthio)ribulose 5-phosphate

  • Molecular FormulaC6H13O7PS
  • Average mass260.202 Da
  • Monoisotopic mass260.011963 Da
  • ChemSpider ID34999854

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(methylthio)ribulose 5-phosphate
1-S-Methyl-5-O-phosphono-1-thio-D-ribulosato(4-) [ACD/IUPAC Name]
1-S-Méthyl-5-O-phosphono-1-thio-D-ribulose [French] [ACD/IUPAC Name]
D-erythro-2-Pentulose, 1-S-methyl-1-thio-, 5-(dihydrogen phosphate) [ACD/Index Name]
1-S-methyl-5-O-phosphono-1-thio-D-ribulose

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

Density: 1.6±0.1 g/cm3
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: 1.571
Molar Refractivity: 52.5±0.3 cm3
#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: 159 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 81.1±3.0 dyne/cm
Molar Volume: 160.0±3.0 cm3

Click to predict properties on the Chemicalize site


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