ChemSpider 2D Image | (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-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C39H62O13

(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-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC39H62O13
  • Average mass738.902 Da
  • Monoisotopic mass738.419067 Da
  • ChemSpider ID57641785

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

(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-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(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-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (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]
β-D-Glucopyranoside, (4aR,4bS,6aR,6bR,7S,8S,9R,10aS,11aS,11bR)-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10a,11,11a,11b,12-octadecahydro-9-hydroxy-6a-(hydroxymethyl)-4a,7-dimethyl-8-(2-methyl-1-propen-1-yl)nap hth[2',1':4,5]indeno[2,1-b]pyran-2-yl 2-O-(6-deoxy-α-L-mannopyranosyl)- [ACD/Index Name]
(22S,23R)-16[β],23-epoxy-18,23-dihydroxy-22-(2-methyl-1-propenyl)-24-norchol-5-en-3[β]-yl O-[α]-L-rhamnopyranosyl-(1[to]2)-[β]-D-glucopyranoside
263570-77-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 878.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.0±6.0 kJ/mol
Flash Point: 485.0±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 188.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 385.92
ACD/KOC (pH 5.5): 2471.85
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 385.92
ACD/KOC (pH 7.4): 2471.82
Polar Surface Area: 208 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 538.4±5.0 cm3

Click to predict properties on the Chemicalize site


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