ChemSpider 2D Image | (3β,7β,12β)-20-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7,12-dihydroxydammara-5,24-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside | C54H90O24

(3β,7β,12β)-20-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7,12-dihydroxydammara-5,24-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC54H90O24
  • Average mass1123.278 Da
  • Monoisotopic mass1122.582153 Da
  • ChemSpider ID8924079

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

(3β,7β,12β)-20-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7,12-dihydroxydammara-5,24-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
(3β,7β,12β)-20-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-7,12-dihydroxydammara-5,24-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,7β,12β)-20-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-7,12-dihydroxydammara-5,24-dien-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
208764-54-9 [RN]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (3β,7β,12β)-20-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-7,12-dihydroxydammara-5,24-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,7β,12β)-20-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-7,12-dihydroxydammara-5,24-dien-3-yl 2-O-β-D-glucopyranosyl- [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: 1181.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 197.5±6.0 kJ/mol
Flash Point: 668.4±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 273.1±0.4 cm3
#H bond acceptors: 24
#H bond donors: 16
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 0.68
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.95
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.95
Polar Surface Area: 398 Å2
Polarizability: 108.3±0.5 10-24cm3
Surface Tension: 82.8±5.0 dyne/cm
Molar Volume: 758.7±5.0 cm3

Click to predict properties on the Chemicalize site


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