ChemSpider 2D Image | (3beta,5beta,12beta,13alpha,17alpha)-12-Hydroxydammara-20,24-dien-3-yl 2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranoside | C42H70O12

(3β,5β,12β,13α,17α)-12-Hydroxydammara-20,24-dien-3-yl 2-O-α-D-mannopyranosyl-α-D-mannopyranoside

  • Molecular FormulaC42H70O12
  • Average mass766.998 Da
  • Monoisotopic mass766.486755 Da
  • ChemSpider ID113609829
  • defined stereocentres - 19 of 19 defined stereocentres


More details:






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

(3β,5β,12β,13α,17α)-12-Hydroxydammara-20,24-dien-3-yl 2-O-α-D-mannopyranosyl-α-D-mannopyranoside [ACD/IUPAC Name]
(3β,5β,12β,13α,17α)-12-Hydroxydammara-20,24-dien-3-yl-2-O-α-D-mannopyranosyl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
2-O-α-D-Mannopyranosyl-α-D-mannopyranoside de (3β,5β,12β,13α,17α)-12-hydroxydammara-20,24-dién-3-yle [French] [ACD/IUPAC Name]
α-D-Mannopyranoside, (3β,5β,12β,13α,17α)-12-hydroxydammara-20,24-dien-3-yl 2-O-α-D-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: 854.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.2±6.0 kJ/mol
Flash Point: 470.6±34.3 °C
Index of Refraction: 1.589
Molar Refractivity: 202.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2113.54
ACD/KOC (pH 5.5): 8349.08
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2113.51
ACD/KOC (pH 7.4): 8348.98
Polar Surface Area: 199 Å2
Polarizability: 80.2±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 600.3±5.0 cm3

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