ChemSpider 2D Image | (16alpha,17E,22E,24xi)-3-Oxoergosta-4,6,8(14),17,22-pentaen-16-yl beta-D-mannopyranoside | C34H48O7

(16α,17E,22E,24ξ)-3-Oxoergosta-4,6,8(14),17,22-pentaen-16-yl β-D-mannopyranoside

  • Molecular FormulaC34H48O7
  • Average mass568.741 Da
  • Monoisotopic mass568.340027 Da
  • ChemSpider ID44210981

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(16α,17E,22E,24ξ)-3-Oxoergosta-4,6,8(14),17,22-pentaen-16-yl β-D-mannopyranoside [ACD/IUPAC Name]
(16α,17E,22E,24ξ)-3-Oxoergosta-4,6,8(14),17,22-pentaen-16-yl-β-D-mannopyranosid [German] [ACD/IUPAC Name]
Ergosta-4,6,8(14),17,22-pentaen-3-one, 16-(β-D-mannopyranosyloxy)-, (16α,17E,22E,24ξ)- [ACD/Index Name]
β-D-Mannopyranoside de (16α,17E,22E,24ξ)-3-oxoergosta-4,6,8(14),17,22-pentaén-16-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 758.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.0±6.0 kJ/mol
Flash Point: 238.5±26.4 °C
Index of Refraction: 1.600
Molar Refractivity: 157.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1253.35
ACD/KOC (pH 5.5): 5743.79
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1253.34
ACD/KOC (pH 7.4): 5743.75
Polar Surface Area: 116 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 459.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement