ChemSpider 2D Image | (7R,8S)-8,10-Dihydroxy-1,1,7-trimethyl-7-vinyl-1,2,3,4,5,6,7,8-octahydro-9-phenanthrenyl (4xi)-beta-D-xylo-hexopyranoside | C25H36O8

(7R,8S)-8,10-Dihydroxy-1,1,7-trimethyl-7-vinyl-1,2,3,4,5,6,7,8-octahydro-9-phenanthrenyl (4ξ)-β-D-xylo-hexopyranoside

  • Molecular FormulaC25H36O8
  • Average mass464.548 Da
  • Monoisotopic mass464.241028 Da
  • ChemSpider ID28288577
  • defined stereocentres - 6 of 7 defined stereocentres


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(4ξ)-β-D-xylo-Hexopyranoside de (7R,8S)-8,10-dihydroxy-1,1,7-triméthyl-7-vinyl-1,2,3,4,5,6,7,8-octahydro-9-phénanthrényle [French] [ACD/IUPAC Name]
(7R,8S)-8,10-Dihydroxy-1,1,7-trimethyl-7-vinyl-1,2,3,4,5,6,7,8-octahydro-9-phenanthrenyl (4ξ)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(7R,8S)-8,10-Dihydroxy-1,1,7-trimethyl-7-vinyl-1,2,3,4,5,6,7,8-octahydro-9-phenanthrenyl-(4ξ)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
β-D-xylo-Hexopyranoside, (7R,8S)-7-ethenyl-1,2,3,4,5,6,7,8-octahydro-8,10-dihydroxy-1,1,7-trimethyl-9-phenanthrenyl, (4ξ)- [ACD/Index Name]
xylopimarane

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 637.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 339.1±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 123.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.26
ACD/KOC (pH 5.5): 244.84
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.22
ACD/KOC (pH 7.4): 244.15
Polar Surface Area: 140 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 343.3±3.0 cm3

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