Found 16 results

Search term: MF = 'C_{47}H_{68}O_{16}'
ChemSpider 2D Image | (3beta,5xi,7beta,9beta,15alpha,23R,24S)-16-Oxo-3-[(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)oxy]-24,25-epoxy-9,19-cyclolanostane-7,15,23-triyl triacetate | C47H68O16

(3β,5ξ,7β,9β,15α,23R,24S)-16-Oxo-3-[(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)oxy]-24,25-epoxy-9,19-cyclolanostane-7,15,23-triyl triacetate

  • Molecular FormulaC47H68O16
  • Average mass889.033 Da
  • Monoisotopic mass888.450745 Da
  • ChemSpider ID9940913

  • defined stereocentres - 16 of 17 defined stereocentres

More details:

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

(3β,5ξ,7β,9β,15α,23R,24S)-16-Oxo-3-[(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)oxy]-24,25-epoxy-9,19-cyclolanostan-7,15,23-triyl-triacetat [German] [ACD/IUPAC Name]
(3β,5ξ,7β,9β,15α,23R,24S)-16-Oxo-3-[(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)oxy]-24,25-epoxy-9,19-cyclolanostane-7,15,23-triyl triacetate [ACD/IUPAC Name]
9,19-Cyclolanostan-16-one, 7,15,23-tris(acetyloxy)-24,25-epoxy-3-[(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)oxy]-, (3β,5ξ,7β,9β,15α,23R,24S)- [ACD/Index Name]
Triacétate de (3β,5ξ,7β,9β,15α,23R,24S)-16-oxo-3-[(2,3,4-tri-O-acétyl-β-D-xylopyranosyl)oxy]-24,25-époxy-9,19-cyclolanostane-7,15,23-triyle [French] [ACD/IUPAC 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: 806.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 312.8±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 221.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8342.50
ACD/KOC (pH 5.5): 22307.66
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8342.50
ACD/KOC (pH 7.4): 22307.66
Polar Surface Area: 206 Å2
Polarizability: 87.9±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 700.9±5.0 cm3

Click to predict properties on the Chemicalize site


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