Found 13 results

Search term: C44H68O17 (Found by molecular formula)
ChemSpider 2D Image | (1beta,3beta)-1-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy}-3-hydroxyfurosta-5,20(22),25-trien-27-yl beta-D-glucopyranoside | C44H68O17

(1β,3β)-1-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-3-hydroxyfurosta-5,20(22),25-trien-27-yl β-D-glucopyranoside

  • Molecular FormulaC44H68O17
  • Average mass869.000 Da
  • Monoisotopic mass868.445679 Da
  • ChemSpider ID23340121

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

(1β,3β)-1-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-3-hydroxyfurosta-5,20(22),25-trien-27-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1β,3β)-1-{[2-O-(6-Desoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-3-hydroxyfurosta-5,20(22),25-trien-27-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1β,3β)-1-{[2-O-(6-désoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-3-hydroxyfurosta-5,20(22),25-trién-27-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1β,3β)-1-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-3-hydroxyfurosta-5,20(22),25-trien-27-yl [ACD/Index Name]
furosta-5,20(22),25(27)-trien-1β,3β,26-triol 1-O-[βL-rhamnopyranosyl-(1->2)-β-L-arabinopyranoside]26-O-β-D-glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL479080/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1007.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 166.6±6.0 kJ/mol
Flash Point: 563.2±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 215.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.63
ACD/KOC (pH 5.5): 354.62
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.63
ACD/KOC (pH 7.4): 354.62
Polar Surface Area: 267 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 74.7±5.0 dyne/cm
Molar Volume: 601.7±5.0 cm3

Click to predict properties on the Chemicalize site


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