ChemSpider 2D Image | (3beta,5alpha,16alpha,17E,22E,24xi)-3-Hydroxyergosta-6,8(14),17,22-tetraen-16-yl beta-D-mannopyranoside | C34H52O7

(3β,5α,16α,17E,22E,24ξ)-3-Hydroxyergosta-6,8(14),17,22-tetraen-16-yl β-D-mannopyranoside

  • Molecular FormulaC34H52O7
  • Average mass572.773 Da
  • Monoisotopic mass572.371277 Da
  • ChemSpider ID44210980

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(3β,5α,16α,17E,22E,24ξ)-3-Hydroxyergosta-6,8(14),17,22-tetraen-16-yl β-D-mannopyranoside [ACD/IUPAC Name]
(3β,5α,16α,17E,22E,24ξ)-3-Hydroxyergosta-6,8(14),17,22-tetraen-16-yl-β-D-mannopyranosid [German] [ACD/IUPAC Name]
β-D-Mannopyranoside de (3β,5α,16α,17E,22E,24ξ)-3-hydroxyergosta-6,8(14),17,22-tétraén-16-yle [French] [ACD/IUPAC Name]
β-D-Mannopyranoside, (3β,5α,16α,17E,22E,24ξ)-3-hydroxyergosta-6,8(14),17,22-tetraen-16-yl [ACD/Index 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: 729.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.7±6.0 kJ/mol
Flash Point: 395.2±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 158.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3323.88
ACD/KOC (pH 5.5): 11544.85
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3323.86
ACD/KOC (pH 7.4): 11544.78
Polar Surface Area: 120 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 468.2±5.0 cm3

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