ChemSpider 2D Image | 4,5-Dideoxy-2-C-{(E)-2-[(1S,2R,3R,4S)-2-hydroxy-3-(methoxymethoxy)-7,7-dimethyl-1-vinylbicyclo[2.2.1]hept-2-yl]vinyl}-1,2-O-isopropylidene-3-O-(4-methoxybenzyl)-D-erythro-pent-4-enitol | C31H44O7

4,5-Dideoxy-2-C-{(E)-2-[(1S,2R,3R,4S)-2-hydroxy-3-(methoxymethoxy)-7,7-dimethyl-1-vinylbicyclo[2.2.1]hept-2-yl]vinyl}-1,2-O-isopropylidene-3-O-(4-methoxybenzyl)-D-erythro-pent-4-enitol

  • Molecular FormulaC31H44O7
  • Average mass528.677 Da
  • Monoisotopic mass528.308716 Da
  • ChemSpider ID9015210

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

4,5-Dideoxy-2-C-{(E)-2-[(1S,2R,3R,4S)-2-hydroxy-3-(methoxymethoxy)-7,7-dimethyl-1-vinylbicyclo[2.2.1]hept-2-yl]vinyl}-1,2-O-isopropylidene-3-O-(4-methoxybenzyl)-D-erythro-pent-4-enitol [ACD/IUPAC Name]
4,5-Didesoxy-2-C-{(E)-2-[(1S,2R,3R,4S)-2-hydroxy-3-(methoxymethoxy)-7,7-dimethyl-1-vinylbicyclo[2.2.1]hept-2-yl]vinyl}-1,2-O-isopropyliden-3-O-(4-methoxybenzyl)-D-erythro-pent-4-enitol [German] [ACD/IUPAC Name]
4,5-Didésoxy-2-C-{(E)-2-[(1S,2R,3R,4S)-2-hydroxy-3-(méthoxyméthoxy)-7,7-diméthyl-1-vinylbicyclo[2.2.1]hept-2-yl]vinyl}-1,2-O-isopropylidène-3-O-(4-méthoxybenzyl)-D-érythro-pent-4-énitol [French] [ACD/IUPAC Name]
D-erythro-Pent-4-enitol, 4,5-dideoxy-2-C-[(E)-2-[(1S,2R,3R,4S)-1-ethenyl-2-hydroxy-3-(methoxymethoxy)-7,7-dimethylbicyclo[2.2.1]hept-2-yl]ethenyl]-3-O-[(4-methoxyphenyl)methyl]-1,2-O-(1-methylethylide ne)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 575.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 302.0±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6447.42
ACD/KOC (pH 5.5): 18550.27
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6447.41
ACD/KOC (pH 7.4): 18550.24
Polar Surface Area: 76 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 461.4±5.0 cm3

Click to predict properties on the Chemicalize site


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