Found 8 results

Search term: MF = 'C_{52}H_{84}O_{19}'
ChemSpider 2D Image | Butyl (3beta)-28-hydroxy-28-oxoolean-12-en-3-yl beta-D-galactopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosiduronate | C52H84O19

Butyl (3β)-28-hydroxy-28-oxoolean-12-en-3-yl β-D-galactopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosiduronate

  • Molecular FormulaC52H84O19
  • Average mass1013.212 Da
  • Monoisotopic mass1012.560669 Da
  • ChemSpider ID17257322

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

Butyl (3β)-28-hydroxy-28-oxoolean-12-en-3-yl β-D-galactopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosiduronate [ACD/IUPAC Name]
Butyl-(3β)-28-hydroxy-28-oxoolean-12-en-3-yl-β-D-galactopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-β-D-galactopyranosyl-(1->3)-O-[β-D-glucopyranosyl-(1->2)]-6-butyl-β-D-glucopyranuronosyl]oxy]-, (3β)- [ACD/Index Name]
β-D-Galactopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->;2)]-β-D-glucopyranosiduronate de butyle et de (3β)-28-hydroxy-28-oxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
{oleanolic acid 3-O-β-d-glucopyranosyl(1->2)-[β-d-galactopyranosyl(1->3)]-β-d-glucuronopyranoside-6-O-n-butyl ester}

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1033.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 171.0±6.0 kJ/mol
Flash Point: 286.2±27.8 °C
Index of Refraction: 1.607
Molar Refractivity: 253.6±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 869.56
ACD/KOC (pH 5.5): 2422.74
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 13.70
ACD/KOC (pH 7.4): 38.17
Polar Surface Area: 301 Å2
Polarizability: 100.5±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 734.8±5.0 cm3

Click to predict properties on the Chemicalize site


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