Found 8 results

Search term: MF = 'C_{52}H_{84}O_{19}'
ChemSpider 2D Image | (3beta,5xi,16beta,22alpha)-16,22-Dihydroxy-3-{[beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl]oxy}olean-12-en-28-yl (2E)-2-methyl-2-butenoate | C52H84O19

(3β,5ξ,16β,22α)-16,22-Dihydroxy-3-{[β-D-xylopyranosyl-(1->6)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl]oxy}olean-12-en-28-yl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC52H84O19
  • Average mass1013.212 Da
  • Monoisotopic mass1012.560669 Da
  • ChemSpider ID8852856

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 23 of 24 defined stereocentres

More details:

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

(2E)-2-Méthyl-2-buténoate de (3β,5ξ,16β,22α)-16,22-dihydroxy-3-{[β-D-xylopyranosyl-(1->6)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl]oxy}oléan-12-én-28-yle [French] [ACD/IUPAC Name]
(3β,5ξ,16β,22α)-16,22-Dihydroxy-3-{[β-D-xylopyranosyl-(1->6)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl]oxy}olean-12-en-28-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(3β,5ξ,16β,22α)-16,22-Dihydroxy-3-{[β-D-xylopyranosyl-(1->6)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl]oxy}olean-12-en-28-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (3β,5ξ,16β,22α)-16,22-dihydroxy-3-[[O-β-D-xylopyranosyl-(1->6)-O-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl]oxy]olean-12-en-28-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1042.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 172.7±6.0 kJ/mol
Flash Point: 289.3±27.8 °C
Index of Refraction: 1.616
Molar Refractivity: 254.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4429.51
ACD/KOC (pH 5.5): 14170.22
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4429.50
ACD/KOC (pH 7.4): 14170.18
Polar Surface Area: 304 Å2
Polarizability: 101.0±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 729.0±5.0 cm3

Click to predict properties on the Chemicalize site


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