Found 23 results

Search term: MF = 'C_{54}H_{90}O_{24}'

ChemSpider 2D Image | (2alpha,3beta,12beta)-20-{[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-2,12-dihydroxy-24-oxodammar-25-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C54H90O24

(2α,3β,12β)-20-{[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2,12-dihydroxy-24-oxodammar-25-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC54H90O24
  • Average mass1123.278 Da
  • Monoisotopic mass1122.582153 Da
  • ChemSpider ID58859105
  • defined stereocentres - 31 of 31 defined stereocentres


More details:






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

(2α,3β,12β)-20-{[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2,12-dihydroxy-24-oxodammar-25-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(2α,3β,12β)-20-{[6-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2,12-dihydroxy-24-oxodammar-25-en-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (2α,3β,12β)-20-{[6-O-(6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2,12-dihydroxy-24-oxodammar-25-én-3-yle [French] [ACD/IUPAC Name]
Dammar-25-en-24-one, 20-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2,12-dihydroxy-, (2α,3β,12β)- [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: 1171.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 195.6±6.0 kJ/mol
Flash Point: 321.4±27.8 °C
Index of Refraction: 1.626
Molar Refractivity: 271.8±0.4 cm3
#H bond acceptors: 24
#H bond donors: 15
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.25
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.25
Polar Surface Area: 394 Å2
Polarizability: 107.8±0.5 10-24cm3
Surface Tension: 79.6±5.0 dyne/cm
Molar Volume: 767.6±5.0 cm3

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