ChemSpider 2D Image | (2R,3R,4S,5R)-7-Methyl-6-sulfanyl-1,2,3,4,5-tridecanepentol | C14H30O5S

(2R,3R,4S,5R)-7-Methyl-6-sulfanyl-1,2,3,4,5-tridecanepentol

  • Molecular FormulaC14H30O5S
  • Average mass310.450 Da
  • Monoisotopic mass310.181396 Da
  • ChemSpider ID109121366

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(2R,3R,4S,5R)-7-Methyl-6-sulfanyl-1,2,3,4,5-tridecanepentol [ACD/IUPAC Name]
(2R,3R,4S,5R)-7-Méthyl-6-sulfanyl-1,2,3,4,5-tridécanepentol [French] [ACD/IUPAC Name]
(2R,3R,4S,5R)-7-Methyl-6-sulfanyl-1,2,3,4,5-tridecanpentol [German] [ACD/IUPAC Name]
D-gluco-Octitol, 1,2-dideoxy-2-hexyl-3-thio- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 544.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.6±6.0 kJ/mol
Flash Point: 282.9±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 82.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.32
ACD/KOC (pH 5.5): 115.19
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.31
ACD/KOC (pH 7.4): 114.89
Polar Surface Area: 140 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 263.5±3.0 cm3

Click to predict properties on the Chemicalize site


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