ChemSpider 2D Image | (3beta,22E)-Stigmasta-4,22-dien-3-yl 2-deoxy-alpha-L-arabino-hexopyranoside | C35H58O5

(3β,22E)-Stigmasta-4,22-dien-3-yl 2-deoxy-α-L-arabino-hexopyranoside

  • Molecular FormulaC35H58O5
  • Average mass558.832 Da
  • Monoisotopic mass558.428406 Da
  • ChemSpider ID9745141

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,22E)-Stigmasta-4,22-dien-3-yl 2-deoxy-α-L-arabino-hexopyranoside [ACD/IUPAC Name]
(3β,22E)-Stigmasta-4,22-dien-3-yl-2-desoxy-α-L-arabino-hexopyranosid [German] [ACD/IUPAC Name]
2-Désoxy-α-L-arabino-hexopyranoside de (3β,22E)-stigmasta-4,22-dién-3-yle [French] [ACD/IUPAC Name]
α-L-arabino-Hexopyranoside, (3β,22E)-stigmasta-4,22-dien-3-yl 2-deoxy- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 659.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±6.0 kJ/mol
Flash Point: 352.4±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 161.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.72
ACD/LogD (pH 5.5): 7.95
ACD/BCF (pH 5.5): 646696.38
ACD/KOC (pH 5.5): 502191.72
ACD/LogD (pH 7.4): 7.95
ACD/BCF (pH 7.4): 646695.63
ACD/KOC (pH 7.4): 502191.19
Polar Surface Area: 79 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 504.2±5.0 cm3

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