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

(3β,6α,9ξ,12β,20Z)-3,12-Dihydroxydammara-20(22),24-dien-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC42H70O12
  • Average mass766.998 Da
  • Monoisotopic mass766.486755 Da
  • ChemSpider ID29814139

  • defined stereocentres - 19 of 20 defined stereocentres

More details:

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

(3β,6α,9ξ,12β,20Z)-3,12-Dihydroxydammara-20(22),24-dien-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,6α,9ξ,12β,20Z)-3,12-Dihydroxydammara-20(22),24-dien-6-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3β,6α,9ξ,12β,20Z)-3,12-dihydroxydammara-20(22),24-dién-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,6α,9ξ,12β,20Z)-3,12-dihydroxydammara-20(22),24-dien-6-yl 2-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: 851.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.7±6.0 kJ/mol
Flash Point: 468.9±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: 8.32
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4438.52
ACD/KOC (pH 5.5): 14199.94
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4438.48
ACD/KOC (pH 7.4): 14199.79
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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