ChemSpider 2D Image | 1-O-(1,3,25-Trihydroxy-28-oxo-20,24-epoxy-9,19-cyclolanostan-28-yl)hexopyranose | C36H58O11

1-O-(1,3,25-Trihydroxy-28-oxo-20,24-epoxy-9,19-cyclolanostan-28-yl)hexopyranose

  • Molecular FormulaC36H58O11
  • Average mass666.839 Da
  • Monoisotopic mass666.397888 Da
  • ChemSpider ID22370164

More details:

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

1-O-(1,3,25-Trihydroxy-28-oxo-20,24-epoxy-9,19-cyclolanostan-28-yl)hexopyranose [ACD/IUPAC Name]
1-O-(1,3,25-Trihydroxy-28-oxo-20,24-epoxy-9,19-cyclolanostan-28-yl)hexopyranose [German] [ACD/IUPAC Name]
1-O-(1,3,25-Trihydroxy-28-oxo-20,24-époxy-9,19-cyclolanostan-28-yl)hexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 1-O-(20,24-epoxy-1,3,25-trihydroxy-28-oxo-9,19-cyclolanostan-28-yl)- [ACD/Index Name]
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4,6-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylate
Compound NP-006462
NCGC00380456-01C36H58O11Hexopyranose, 1-O-(20,24-epoxy-1,3,25-trihydroxy-28-oxo-9,19-cyclolanostan-28-yl)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 784.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.0±6.0 kJ/mol
Flash Point: 239.1±26.4 °C
Index of Refraction: 1.614
Molar Refractivity: 170.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.05
ACD/KOC (pH 5.5): 572.88
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.05
ACD/KOC (pH 7.4): 572.87
Polar Surface Area: 186 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 489.0±5.0 cm3

Click to predict properties on the Chemicalize site


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