ChemSpider 2D Image | (6beta,9xi,12beta,13xi,20Z)-3,12-Dihydroxydammara-20(22),24-dien-6-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C42H70O12

(6β,9ξ,12β,13ξ,20Z)-3,12-Dihydroxydammara-20(22),24-dien-6-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC42H70O12
  • Average mass766.998 Da
  • Monoisotopic mass766.486755 Da
  • ChemSpider ID8051155

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 20 defined stereocentres

More details:

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

(6β,9ξ,12β,13ξ,20Z)-3,12-Dihydroxydammara-20(22),24-dien-6-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(6β,9ξ,12β,13ξ,20Z)-3,12-Dihydroxydammara-20(22),24-dien-6-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (6β,9ξ,12β,13ξ,20Z)-3,12-dihydroxydammara-20(22),24-dién-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (6β,9ξ,12β,13ξ,20Z)-3,12-dihydroxydammara-20(22),24-dien-6-yl 6-O-(6-deoxy-α-L-mannopyranosyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 849.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.4±6.0 kJ/mol
Flash Point: 467.6±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 202.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 7.71
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1906.76
ACD/KOC (pH 5.5): 7755.91
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1906.74
ACD/KOC (pH 7.4): 7755.81
Polar Surface Area: 199 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 598.9±5.0 cm3

Click to predict properties on the Chemicalize site


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