ChemSpider 2D Image | Aceroside III | C30H40O12

Aceroside III

  • Molecular FormulaC30H40O12
  • Average mass592.631 Da
  • Monoisotopic mass592.251953 Da
  • ChemSpider ID10272907

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(12R)-4-Hydroxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3(20),4,6,15,18-hexaen-12-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(12R)-4-Hydroxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3(20),4,6,15,18-hexaen-12-yl-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de (12R)-4-hydroxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3(20),4,6,15,18-hexaén-12-yle [French] [ACD/IUPAC Name]
Aceroside III
β-D-Glucopyranoside, (12R)-4-hydroxy-2-oxatricyclo[13.2.2.13,7]eicosa-3,5,7(20),15,17,18-hexaen-12-yl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 831.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 456.8±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.74
ACD/KOC (pH 5.5): 177.50
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.68
ACD/KOC (pH 7.4): 176.32
Polar Surface Area: 188 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 81.7±5.0 dyne/cm
Molar Volume: 401.1±5.0 cm3

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