ChemSpider 2D Image | (3beta,22E)-Stigmasta-4,22-dien-3-yl 6-deoxy-alpha-L-mannopyranoside | C35H58O5

(3β,22E)-Stigmasta-4,22-dien-3-yl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC35H58O5
  • Average mass558.832 Da
  • Monoisotopic mass558.428406 Da
  • ChemSpider ID25034982

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,22E)-Stigmasta-4,22-dien-3-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
(3β,22E)-Stigmasta-4,22-dien-3-yl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de (3β,22E)-stigmasta-4,22-dién-3-yle [French] [ACD/IUPAC Name]
α-L-Mannopyranoside, (3β,22E)-stigmasta-4,22-dien-3-yl 6-deoxy- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 644.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.9±6.0 kJ/mol
Flash Point: 343.6±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 161.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 11.05
ACD/LogD (pH 5.5): 9.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1987627.88
ACD/LogD (pH 7.4): 9.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1987617.00
Polar Surface Area: 79 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 504.8±5.0 cm3

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