ChemSpider 2D Image | Cyclopassifloside I | C37H62O12

Cyclopassifloside I

  • Molecular FormulaC37H62O12
  • Average mass698.881 Da
  • Monoisotopic mass698.424133 Da
  • ChemSpider ID10242771

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

1-O-[(1α,3β,9β,22R,24S)-1,3,22,24-Tetrahydroxy-24-(hydroxymethyl)-28-oxo-9,19-cyclolanostan-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(1α,3β,9β,22R,24S)-1,3,22,24-Tetrahydroxy-24-(hydroxymethyl)-28-oxo-9,19-cyclolanostan-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(1α,3β,9β,22R,24S)-1,3,22,24-Tétrahydroxy-24-(hydroxyméthyl)-28-oxo-9,19-cyclolanostan-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
292167-38-5 [RN]
Cyclopassifloside I
β-D-Glucopyranose, 1-O-[(1α,3β,9β,22R,24S)-1,3,22,24-tetrahydroxy-24-(hydroxymethyl)-28-oxo-9,19-cyclolanostan-28-yl]- [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: 855.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.3±6.0 kJ/mol
Flash Point: 259.0±27.8 °C
Index of Refraction: 1.612
Molar Refractivity: 178.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.98
ACD/KOC (pH 5.5): 229.82
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.98
ACD/KOC (pH 7.4): 229.81
Polar Surface Area: 218 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 513.0±5.0 cm3

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