ChemSpider 2D Image | rathbunioside R1 | C32H56O8

rathbunioside R1

  • Molecular FormulaC32H56O8
  • Average mass568.782 Da
  • Monoisotopic mass568.397522 Da
  • ChemSpider ID10213879
  • defined stereocentres - 16 of 16 defined stereocentres


More details:






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

(3β,5α,6α,15β,24S)-3,6,15-Trihydroxycholestan-24-yl β-D-xylopyranoside [ACD/IUPAC Name]
(3β,5α,6α,15β,24S)-3,6,15-Trihydroxycholestan-24-yl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
rathbunioside R1
β-D-Xylopyranoside de (3β,5α,6α,15β,24S)-3,6,15-trihydroxycholestan-24-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,5α,6α,15β,24S)-3,6,15-trihydroxycholestan-24-yl [ACD/Index Name]
24(S)-24-O-(β-D-xylopyranosyl)-5α-cholestane-3β,6α,15β,24-tetraol
350689-78-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 703.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.6±6.0 kJ/mol
Flash Point: 379.0±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 152.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.14
ACD/KOC (pH 5.5): 974.53
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.14
ACD/KOC (pH 7.4): 974.53
Polar Surface Area: 140 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 463.0±5.0 cm3

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