Found 57 results

Search term: MF = 'C_{37}H_{58}O_{11}'

ChemSpider 2D Image | Methyl (3beta)-19,23,28-trihydroxy-28-oxours-12-en-3-yl beta-D-glucopyranosiduronate | C37H58O11

Methyl (3β)-19,23,28-trihydroxy-28-oxours-12-en-3-yl β-D-glucopyranosiduronate

  • Molecular FormulaC37H58O11
  • Average mass678.850 Da
  • Monoisotopic mass678.397888 Da
  • ChemSpider ID76790761
  • defined stereocentres - 16 of 16 defined stereocentres


More details:






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

Methyl (3β)-19,23,28-trihydroxy-28-oxours-12-en-3-yl β-D-glucopyranosiduronate [ACD/IUPAC Name]
Methyl-(3β)-19,23,28-trihydroxy-28-oxours-12-en-3-yl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 19,23-dihydroxy-3-[(6-methyl-β-D-glucopyranuronosyl)oxy]-, (3β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 780.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.4±6.0 kJ/mol
Flash Point: 235.1±26.4 °C
Index of Refraction: 1.596
Molar Refractivity: 175.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 7.02
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 1522.37
ACD/KOC (pH 5.5): 3256.92
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 24.08
ACD/KOC (pH 7.4): 51.53
Polar Surface Area: 183 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 515.5±5.0 cm3

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