ChemSpider 2D Image | (1S)-1-Allyl-1,4-anhydro-3-deoxy-5-O-[(4-methylphenyl)sulfonyl]-D-erythro-pentitol | C15H20O5S

(1S)-1-Allyl-1,4-anhydro-3-deoxy-5-O-[(4-methylphenyl)sulfonyl]-D-erythro-pentitol

  • Molecular FormulaC15H20O5S
  • Average mass312.381 Da
  • Monoisotopic mass312.103149 Da
  • ChemSpider ID24742495

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S)-1-Allyl-1,4-anhydro-3-deoxy-5-O-[(4-methylphenyl)sulfonyl]-D-erythro-pentitol [ACD/IUPAC Name]
(1S)-1-Allyl-1,4-anhydro-3-desoxy-5-O-[(4-methylphenyl)sulfonyl]-D-erythro-pentitol [German] [ACD/IUPAC Name]
(1S)-1-Allyl-1,4-anhydro-3-désoxy-5-O-[(4-méthylphényl)sulfonyl]-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,4-anhydro-3-deoxy-1-C-2-propen-1-yl-, 5-(4-methylbenzenesulfonate), (1S)- [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: 480.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 244.7±23.2 °C
Index of Refraction: 1.537
Molar Refractivity: 79.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.14
ACD/KOC (pH 5.5): 219.96
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.14
ACD/KOC (pH 7.4): 219.96
Polar Surface Area: 81 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 255.8±3.0 cm3

Click to predict properties on the Chemicalize site


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