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

ChemSpider 2D Image | [(1R,2Z,4S,5R,9R,11S,12S)-11-Hydroxy-5-isopropyl-1-methoxy-8,12-dimethyl-15-oxatricyclo[10.2.1.0~4,9~]pentadeca-2,7,13-trien-2-yl]methyl 2-O-acetyl-3,4-O-isopropylidene-beta-L-arabinopyranoside | C31H46O9

[(1R,2Z,4S,5R,9R,11S,12S)-11-Hydroxy-5-isopropyl-1-methoxy-8,12-dimethyl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methyl 2-O-acetyl-3,4-O-isopropylidene-β-L-arabinopyranoside

  • Molecular FormulaC31H46O9
  • Average mass562.692 Da
  • Monoisotopic mass562.314209 Da
  • ChemSpider ID9299714
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres


More details:






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

[(1R,2Z,4S,5R,9R,11S,12S)-11-Hydroxy-5-isopropyl-1-methoxy-8,12-dimethyl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methyl 2-O-acetyl-3,4-O-isopropylidene-β-L-arabinopyranoside [ACD/IUPAC Name]
[(1R,2Z,4S,5R,9R,11S,12S)-11-Hydroxy-5-isopropyl-1-methoxy-8,12-dimethyl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methyl-2-O-acetyl-3,4-O-isopropyliden-β-L-arabinopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-3,4-O-isopropylidène-β-L-arabinopyranoside de [(1R,2Z,4S,5R,9R,11S,12S)-11-hydroxy-5-isopropyl-1-méthoxy-8,12-diméthyl-15-oxatricyclo[10.2.1.04,9]pentadéca-2,7,13-trién-2-yl]méthyle [French] [ACD/IUPAC Name]
β-L-Arabinopyranoside, [(4R,4aS,5Z,7R,10S,11S,12aR)-3,4,4a,7,10,11,12,12a-octahydro-11-hydroxy-7-methoxy-1,10-dimethyl-4-(1-methylethyl)-7,10-epoxybenzocyclodecen-6-yl]methyl 3,4-O-(1-methylethylid ene)-, acetate [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.6±6.0 kJ/mol
Flash Point: 196.5±25.0 °C
Index of Refraction: 1.553
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12208.25
ACD/KOC (pH 5.5): 29296.45
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12208.23
ACD/KOC (pH 7.4): 29296.42
Polar Surface Area: 102 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 463.8±5.0 cm3

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