ChemSpider 2D Image | lyngbouilloside | C31H52O10

lyngbouilloside

  • Molecular FormulaC31H52O10
  • Average mass584.739 Da
  • Monoisotopic mass584.356018 Da
  • ChemSpider ID8546530

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,5R,7S,8R,11S,13R)-1,7-Dihydroxy-5,8-dimethyl-5-[(3E,5E)-3,5-octadien-1-yl]-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-13-yl 6-deoxy-2,4-di-O-methyl-α-L-mannopyranoside [ACD/IUPAC Name]
(1S,5R,7S,8R,11S,13R)-1,7-Dihydroxy-5,8-dimethyl-5-[(3E,5E)-3,5-octadien-1-yl]-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-13-yl-6-desoxy-2,4-di-O-methyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
4,15-Dioxabicyclo[9.3.1]pentadecan-3-one, 13-[(6-deoxy-2,4-di-O-methyl-α-L-mannopyranosyl)oxy]-1,7-dihydroxy-5,8-dimethyl-5-[(3E,5E)-3,5-octadien-1-yl]-, (1S,5R,7S,8R,11S,13R)- [ACD/Index Name]
6-Désoxy-2,4-di-O-méthyl-α-L-mannopyranoside de (1S,5R,7S,8R,11S,13R)-1,7-dihydroxy-5,8-diméthyl-5-[(3E,5E)-3,5-octadién-1-yl]-3-oxo-4,15-dioxabicyclo[9.3.1]pentadéc-13-yle [French] [ACD/IUPAC Name]
lyngbouilloside

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

Density: 1.2±0.1 g/cm3
Boiling Point: 722.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.6±6.0 kJ/mol
Flash Point: 223.8±26.4 °C
Index of Refraction: 1.534
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 306.89
ACD/KOC (pH 5.5): 2097.91
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 306.88
ACD/KOC (pH 7.4): 2097.83
Polar Surface Area: 133 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 496.4±5.0 cm3

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