ChemSpider 2D Image | CSID:8232030 | C47H68O15

  • Molecular FormulaC47H68O15
  • Average mass873.034 Da
  • Monoisotopic mass872.455811 Da
  • ChemSpider ID8232030
  • defined stereocentres - 21 of 21 defined stereocentres


More details:






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

(2S,4aR,4bS,6aR,6bR,7S,8S,9R,10aS,11aS,11bR)-9-Hydroxy-6a-(hydroxymethyl)-4a,7-dimethyl-8-(2-methyl-1-propen-1-yl)-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10a,11,11a,11b,12-octadecahydronaphtho[2',1':4,5]indeno ;[2,1-b]pyran-2-yl-2-O-[6-desoxy-4-O-(4-methoxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-[6-Désoxy-4-O-(4-méthoxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranoside de (2S,4aR,4bS,6aR,6bR,7S,8S,9R,10aS,11aS,11bR)-9-hydroxy-6a-(hydroxyméthyl)-4a,7-diméthyl-8-(2-méthyl-1-propén-1-yl )-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10a,11,11a,11b,12-octadécahydronaphto[2',1':4,5]indéno[2,1-b]pyran-2-yle [French] [ACD/IUPAC Name]
174867-67-5 [RN]
Saundersioside H

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 967.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.6±3.0 kJ/mol
Flash Point: 279.5±27.8 °C
Index of Refraction: 1.620
Molar Refractivity: 224.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11150.42
ACD/KOC (pH 5.5): 27456.18
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11150.23
ACD/KOC (pH 7.4): 27455.70
Polar Surface Area: 223 Å2
Polarizability: 88.9±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 638.8±5.0 cm3

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