ChemSpider 2D Image | (3beta,5alpha,6alpha,15beta,24E)-3,6,15-Trihydroxystigmasta-8(14),24(28)-dien-29-yl pentopyranoside | C34H56O8

(3β,5α,6α,15β,24E)-3,6,15-Trihydroxystigmasta-8(14),24(28)-dien-29-yl pentopyranoside

  • Molecular FormulaC34H56O8
  • Average mass592.804 Da
  • Monoisotopic mass592.397522 Da
  • ChemSpider ID29216947

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 13 defined stereocentres

More details:

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

(3β,5α,6α,15β,24E)-3,6,15-Trihydroxystigmasta-8(14),24(28)-dien-29-yl pentopyranoside [ACD/IUPAC Name]
(3β,5α,6α,15β,24E)-3,6,15-Trihydroxystigmasta-8(14),24(28)-dien-29-ylpentopyranosid [German] [ACD/IUPAC Name]
Pentopyranoside de (3β,5α,6α,15β,24E)-3,6,15-trihydroxystigmasta-8(14),24(28)-dién-29-yle [French] [ACD/IUPAC Name]
Pentopyranoside, (3β,5α,6α,15β,24E)-3,6,15-trihydroxystigmasta-8(14),24(28)-dien-29-yl [ACD/Index Name]
acodontasteroside I

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

Density: 1.2±0.1 g/cm3
Boiling Point: 743.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.7±6.0 kJ/mol
Flash Point: 403.2±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2040.02
ACD/KOC (pH 5.5): 8140.16
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2040.01
ACD/KOC (pH 7.4): 8140.12
Polar Surface Area: 140 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 479.5±5.0 cm3

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