ChemSpider 2D Image | (6aR,6bS,9R,10S,11R,12R,13S,14bR)-12,13-Dihydroxy-4,4,6a,6b,9,10,11,12,14b-nonamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydro-3-picenyl 2-O-beta-D-glucopyranosyl-alpha-L-lyxopy ranoside | C42H70O12

(6aR,6bS,9R,10S,11R,12R,13S,14bR)-12,13-Dihydroxy-4,4,6a,6b,9,10,11,12,14b-nonamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydro-3-picenyl 2-O-β-D-glucopyranosyl-α-L-lyxopy ranoside

  • Molecular FormulaC42H70O12
  • Average mass766.998 Da
  • Monoisotopic mass766.486755 Da
  • ChemSpider ID10142434

  • defined stereocentres - 17 of 21 defined stereocentres

More details:

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

(6aR,6bS,9R,10S,11R,12R,13S,14bR)-12,13-Dihydroxy-4,4,6a,6b,9,10,11,12,14b-nonamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydro-3-picenyl 2-O-β-D-glucopyranosyl-α-L-lyxopy ranoside [ACD/IUPAC Name]
(6aR,6bS,9R,10S,11R,12R,13S,14bR)-12,13-Dihydroxy-4,4,6a,6b,9,10,11,12,14b-nonamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydro-3-picenyl-2-O-β-D-glucopyranosyl-α-L-lyxopy ranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-α-L-lyxopyranoside de (6aR,6bS,9R,10S,11R,12R,13S,14bR)-12,13-dihydroxy-4,4,6a,6b,9,10,11,12,14b-nonaméthyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydr o-3-picényle [French] [ACD/IUPAC Name]
α-L-Lyxopyranoside, (6aR,6bS,9R,10S,11R,12R,13S,14bR)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-eicosahydro-12,13-dihydroxy-4,4,6a,6b,9,10,11,12,14b-nonamethyl-3-picenyl 2-O-β-D-gluc opyranosyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 858.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.8±6.0 kJ/mol
Flash Point: 472.8±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 200.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6642.85
ACD/KOC (pH 5.5): 18951.03
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6642.78
ACD/KOC (pH 7.4): 18950.82
Polar Surface Area: 199 Å2
Polarizability: 79.5±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 587.2±5.0 cm3

Click to predict properties on the Chemicalize site


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