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Search term: VJNPBAMSXMUBQT (Found by InChIKey (skeleton match))

ChemSpider 2D Image | CSID:8685354 | C45H70O18

  • Molecular FormulaC45H70O18
  • Average mass899.026 Da
  • Monoisotopic mass898.456238 Da
  • ChemSpider ID8685354
  • defined stereocentres - 26 of 26 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)-6a-Formyl-9-hydroxy-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]py ;ran-2-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside de (2S,4aR,4bS,6aR,6bR,7S,8S,9R,10aS,11aS,11bR)-6a-formyl-9-hydroxy-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]
153005-20-0 [RN]
Saundersioside C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1021.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 168.9±6.0 kJ/mol
Flash Point: 296.8±27.8 °C
Index of Refraction: 1.629
Molar Refractivity: 220.8±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 245.72
ACD/KOC (pH 5.5): 1788.14
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 245.71
ACD/KOC (pH 7.4): 1788.13
Polar Surface Area: 284 Å2
Polarizability: 87.5±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 621.3±5.0 cm3

Click to predict properties on the Chemicalize site






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