ChemSpider 2D Image | 6-Deoxy-1-C-[(3alpha,25R)-spirosol-5-en-3-yl]-alpha-L-mannopyranosyl beta-D-glucopyranoside | C39H63NO11

6-Deoxy-1-C-[(3α,25R)-spirosol-5-en-3-yl]-α-L-mannopyranosyl β-D-glucopyranoside

  • Molecular FormulaC39H63NO11
  • Average mass721.918 Da
  • Monoisotopic mass721.440125 Da
  • ChemSpider ID84393802

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

6-Deoxy-1-C-[(3α,25R)-spirosol-5-en-3-yl]-α-L-mannopyranosyl β-D-glucopyranoside [ACD/IUPAC Name]
6-Desoxy-1-C-[(3α,25R)-spirosol-5-en-3-yl]-α-L-mannopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 6-désoxy-1-C-[(3α,25R)-spirosol-5-én-3-yl]-α-L-mannopyranosyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 6-deoxy-1-C-[(3α,25R)-spirosol-5-en-3-yl]-α-L-mannopyranosyl [ACD/Index Name]
(2S,3R,4R,5R,6S)-6-methyl-2-[(1S,2S,4S,5'R,6S,7S,8R,9S,12S,13R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
27028-76-8 [RN]
Solasurine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 850.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.6±6.0 kJ/mol
Flash Point: 468.3±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 187.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.10
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 8.82
ACD/KOC (pH 7.4): 68.53
Polar Surface Area: 191 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 530.3±5.0 cm3

Click to predict properties on the Chemicalize site


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