Found 1 result

Search term: C54H92O23 (Found by synonym)

ChemSpider 2D Image | (3beta,9xi,12beta)-3-{[2-O-(alpha-D-Glucopyranosyl)-alpha-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-20-yl 6-O-alpha-D-glucopyranosyl-alpha-D-altropyranoside | C54H92O23

(3β,9ξ,12β)-3-{[2-O-(α-D-Glucopyranosyl)-α-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-20-yl 6-O-α-D-glucopyranosyl-α-D-altropyranoside

  • Molecular FormulaC54H92O23
  • Average mass1109.295 Da
  • Monoisotopic mass1108.602905 Da
  • ChemSpider ID58803534
  • defined stereocentres - 29 of 30 defined stereocentres


More details:






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

(3β,9ξ,12β)-3-{[2-O-(α-D-Glucopyranosyl)-α-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-20-yl 6-O-α-D-glucopyranosyl-α-D-altropyranoside [ACD/IUPAC Name]
(3β,9ξ,12β)-3-{[2-O-(α-D-Glucopyranosyl)-α-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-20-yl-6-O-α-D-glucopyranosyl-α-D-altropyranosid [German] [ACD/IUPAC Name]
6-O-α-D-Glucopyranosyl-α-D-altropyranoside de (3β,9ξ,12β)-3-{[2-O-(α-D-glucopyranosyl)-α-D-glucopyranosyl]oxy}-12-hydroxydammar-24-én-20-yle [French] [ACD/IUPAC Name]
α-D-Altropyranoside, (3β,9ξ,12β)-3-[(2-O-α-D-glucopyranosyl-α-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-20-yl 6-O-α-D-glucopyranosyl- [ACD/Index Name]
C54H92O23

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1145.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 191.0±6.0 kJ/mol
Flash Point: 646.8±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 271.9±0.4 cm3
#H bond acceptors: 23
#H bond donors: 15
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.18
ACD/KOC (pH 5.5): 79.64
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.18
ACD/KOC (pH 7.4): 79.64
Polar Surface Area: 377 Å2
Polarizability: 107.8±0.5 10-24cm3
Surface Tension: 78.6±5.0 dyne/cm
Molar Volume: 768.4±5.0 cm3

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