ChemSpider 2D Image | rubiarboside F | C36H60O10

rubiarboside F

  • Molecular FormulaC36H60O10
  • Average mass652.856 Da
  • Monoisotopic mass652.418640 Da
  • ChemSpider ID9214741

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(1R,3S,3aR,5aS,5bS,6S,7aR,9R,10R,11aS,13aR,13bR)-1,6,10-Trihydroxy-3a-(hydroxymethyl)-3-isopropyl-5a,8,8,11a,13a-pentamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopent ;a[a]chrysen-9-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1R,3S,3aR,5aS,5bS,6S,7aR,9R,10R,11aS,13aR,13bR)-1,6,10-Trihydroxy-3a-(hydroxymethyl)-3-isopropyl-5a,8,8,11a,13a-pentamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopent ;a[a]chrysen-9-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
rubiarboside F
β-D-Glucopyranoside de (1R,3S,3aR,5aS,5bS,6S,7aR,9R,10R,11aS,13aR,13bR)-1,6,10-trihydroxy-3a-(hydroxyméthyl)-3-isopropyl-5a,8,8,11a,13a-pentaméthyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b- octadécahydro-1H-cyclopenta[a]chrysén-9-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1R,3S,3aR,5aS,5bS,6S,7aR,9R,10R,11aS,13aR,13bR)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1,6,10-trihydroxy-3a-(hydroxymethyl)-5a,8,8,11a,13a-pentamethyl- 3-(1-methylethyl)-1H-cyclopenta[a]chrysen-9-yl [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: 787.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.5±6.0 kJ/mol
Flash Point: 429.9±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 171.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.67
ACD/KOC (pH 5.5): 214.26
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.67
ACD/KOC (pH 7.4): 214.25
Polar Surface Area: 180 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 496.5±5.0 cm3

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