ChemSpider 2D Image | (3beta,25R)-3-{[4-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}furosta-5,20(22)-dien-27-yl beta-D-glucopyranoside | C45H72O17

(3β,25R)-3-{[4-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}furosta-5,20(22)-dien-27-yl β-D-glucopyranoside

  • Molecular FormulaC45H72O17
  • Average mass885.043 Da
  • Monoisotopic mass884.476929 Da
  • ChemSpider ID115011213

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(3β,25R)-3-{[4-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}furosta-5,20(22)-dien-27-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25R)-3-{[4-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}furosta-5,20(22)-dien-27-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β,25R)-3-{[4-O-(6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}furosta-5,20(22)-dién-27-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,25R)-3-[[4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]furosta-5,20(22)-dien-27-yl [ACD/Index Name]
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,8S,9S,12S,13R,16S)-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
117457-34-8 [RN]
Furostan, ??-D-glucopyranoside deriv
Furostan, |A-D-glucopyranoside deriv

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1001.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.6±6.0 kJ/mol
Flash Point: 559.6±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 220.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.50
ACD/KOC (pH 5.5): 312.73
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.50
ACD/KOC (pH 7.4): 312.73
Polar Surface Area: 267 Å2
Polarizability: 87.3±0.5 10-24cm3
Surface Tension: 73.0±5.0 dyne/cm
Molar Volume: 623.1±5.0 cm3

Click to predict properties on the Chemicalize site


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