ChemSpider 2D Image | calyculaglycoside A | C30H48O8

calyculaglycoside A

  • Molecular FormulaC30H48O8
  • Average mass536.697 Da
  • Monoisotopic mass536.334900 Da
  • ChemSpider ID8567846

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5E)-6-[(1S,3E,7E)-4,8-Dimethyl-3,7-cyclodecadien-1-yl]-2-methyl-5-hepten-2-yl 3,6-di-O-acetyl-β-D-galactopyranoside [ACD/IUPAC Name]
(5E)-6-[(1S,3E,7E)-4,8-Dimethyl-3,7-cyclodecadien-1-yl]-2-methyl-5-hepten-2-yl-3,6-di-O-acetyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
3,6-Di-O-acétyl-β-D-galactopyranoside de (5E)-6-[(1S,3E,7E)-4,8-diméthyl-3,7-cyclodécadién-1-yl]-2-méthyl-5-heptén-2-yle [French] [ACD/IUPAC Name]
calyculaglycoside A
β-D-Galactopyranoside, (4E)-5-[(1S,3E,7E)-4,8-dimethyl-3,7-cyclodecadien-1-yl]-1,1-dimethyl-4-hexen-1-yl, 3,6-diacetate [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: 630.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.9±6.0 kJ/mol
Flash Point: 193.0±25.0 °C
Index of Refraction: 1.524
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 49222.42
ACD/KOC (pH 5.5): 79475.41
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 49221.88
ACD/KOC (pH 7.4): 79474.54
Polar Surface Area: 112 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 477.4±5.0 cm3

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