ChemSpider 2D Image | (1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0~1,9~.0~2,6~.0~10,15~]nonadec-18-en-13-yl beta-D-glucopyranoside | C34H54O8

(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-yl β-D-glucopyranoside

  • Molecular FormulaC34H54O8
  • Average mass590.788 Da
  • Monoisotopic mass590.381897 Da
  • ChemSpider ID8921308

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-diméthyl-3-heptén-2-yl]-6,10-diméthyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadéc-18-én-13-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1R,3aR,3bS,5aS,7S,9aR,9bR,11aR)-2,3,3a,6,7,8,9,9a,9b,10,11,11a-dodecahydro-9a,11a-dimethyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-3b,5a-etheno-1H-benz[c]indeno[5,4-e][1,2 ]dioxin-7-yl [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[[(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
140447-22-9 [RN]
3-O-β-d-glucopyranosyl-22E,24R-5α,8α-epidioxyergosta-6,22-diene,
Ergosterol peroxide glucoside

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

Density: 1.2±0.1 g/cm3
Boiling Point: 675.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±6.0 kJ/mol
Flash Point: 362.6±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 159.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4856.14
ACD/KOC (pH 5.5): 15143.98
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4856.11
ACD/KOC (pH 7.4): 15143.88
Polar Surface Area: 118 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 479.4±5.0 cm3

Click to predict properties on the Chemicalize site


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