ChemSpider 2D Image | (1beta,3beta,8xi,9xi,14xi,16xi,17xi,22R)-3-{[4-O-(6-Deoxy-beta-L-mannopyranosyl)-alpha-D-glucopyranosyl]oxy}-1,22-dihydroxyfurosta-5,25-dien-27-yl alpha-D-altropyranoside | C45H72O19

(1β,3β,8ξ,9ξ,14ξ,16ξ,17ξ,22R)-3-{[4-O-(6-Deoxy-β-L-mannopyranosyl)-α-D-glucopyranosyl]oxy}-1,22-dihydroxyfurosta-5,25-dien-27-yl α-D-altropyranoside

  • Molecular FormulaC45H72O19
  • Average mass917.042 Da
  • Monoisotopic mass916.466797 Da
  • ChemSpider ID28287126

  • defined stereocentres - 21 of 26 defined stereocentres

More details:

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(1β,3β,8ξ,9ξ,14ξ,16ξ,17ξ,22R)-3-{[4-O-(6-Deoxy-β-L-mannopyranosyl)-α-D-glucopyranosyl]oxy}-1,22-dihydroxyfurosta-5,25-dien-27-yl α-D-altropyranoside [ACD/IUPAC Name]
(1β,3β,8ξ,9ξ,14ξ,16ξ,17ξ,22R)-3-{[4-O-(6-Desoxy-β-L-mannopyranosyl)-α-D-glucopyranosyl]oxy}-1,22-dihydroxyfurosta-5,25-dien-27-yl-α-D-altropyranosid [German] [ACD/IUPAC Name]
α-D-Altropyranoside de (1β,3β,8ξ,9ξ,14ξ,16ξ,17ξ,22R)-3-{[4-O-(6-désoxy-β-L-mannopyranosyl)-α-D-glucopyranosyl]oxy}-1,22-dihydroxyfurosta-5,25-dién-27-yle [French] [ACD/IUPAC Name]
α-D-Altropyranoside, (1β,3β,8ξ,9ξ,14ξ,16ξ,17ξ,22β)-3-[[4-O-(6-deoxy-β-L-mannopyranosyl)-α-D-glucopyranosyl]oxy]-1,22-dihydroxyfurosta-5,25-dien-27-yl [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1049.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 173.8±6.0 kJ/mol
Flash Point: 588.5±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 223.4±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.58
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.58
Polar Surface Area: 307 Å2
Polarizability: 88.6±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 620.4±5.0 cm3

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