ChemSpider 2D Image | 1-C-{5-[(1E,3E)-6-{5-[3-(5-{[7-(1-Carboxyethyl)-1,6-dioxaspiro[4.5]dec-2-yl](hydroxy)methyl}-5-methyl-3-oxotetrahydro-2-furanyl)-5-methyl-2,8-dioxabicyclo[3.2.1]oct-1-yl]-2-methyltetrahydro-2-furanyl} -3,5-dimethyl-1,3-hexadien-1-yl]-4-hydroxytetrahydro-2-furanyl}-3,4-dideoxy-3-methylpentopyranose | C47H72O15

1-C-{5-[(1E,3E)-6-{5-[3-(5-{[7-(1-Carboxyethyl)-1,6-dioxaspiro[4.5]dec-2-yl](hydroxy)methyl}-5-methyl-3-oxotetrahydro-2-furanyl)-5-methyl-2,8-dioxabicyclo[3.2.1]oct-1-yl]-2-methyltetrahydro-2-furanyl} -3,5-dimethyl-1,3-hexadien-1-yl]-4-hydroxytetrahydro-2-furanyl}-3,4-dideoxy-3-methylpentopyranose

  • Molecular FormulaC47H72O15
  • Average mass877.066 Da
  • Monoisotopic mass876.487122 Da
  • ChemSpider ID35014915

  • Double-bond stereo - Double-bond stereo

More details:

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

1-C-{5-[(1E,3E)-6-{5-[3-(5-{[7-(1-Carboxyethyl)-1,6-dioxaspiro[4.5]dec-2-yl](hydroxy)methyl}-5-methyl-3-oxotetrahydro-2-furanyl)-5-methyl-2,8-dioxabicyclo[3.2.1]oct-1-yl]-2-methyltetrahydro-2-furanyl} -3,5-dimethyl-1,3-hexadien-1-yl]-4-hydroxytetrahydro-2-furanyl}-3,4-dideoxy-3-methylpentopyranose [ACD/IUPAC Name]
1-C-{5-[(1E,3E)-6-{5-[3-(5-{[7-(1-Carboxyethyl)-1,6-dioxaspiro[4.5]dec-2-yl](hydroxy)methyl}-5-methyl-3-oxotetrahydro-2-furanyl)-5-methyl-2,8-dioxabicyclo[3.2.1]oct-1-yl]-2-methyltetrahydro-2-furanyl} -3,5-dimethyl-1,3-hexadien-1-yl]-4-hydroxytetrahydro-2-furanyl}-3,4-didesoxy-3-methylpentopyranose [German] [ACD/IUPAC Name]
1-C-{5-[(1E,3E)-6-{5-[3-(5-{[7-(1-Carboxyéthyl)-1,6-dioxaspiro[4.5]déc-2-yl](hydroxy)méthyl}-5-méthyl-3-oxotétrahydro-2-furanyl)-5-méthyl-2,8-dioxabicyclo[3.2.1]oct-1-yl]-2-méthyltétrahydro-2-furanyl} -3,5-diméthyl-1,3-hexadién-1-yl]-4-hydroxytétrahydro-2-furanyl}-3,4-didésoxy-3-méthylpentopyranose [French] [ACD/IUPAC Name]
2-(2-{[5-(1-{5-[(3E,5E)-6-[5-(2,3-dihydroxy-4-methyloxan-2-yl)-3-hydroxyoxolan-2-yl]-2,4-dimethylhexa-3,5-dien-1-yl]-5-methyloxolan-2-yl}-5-methyl-2,8-dioxabicyclo[3.2.1]octan-3-yl)-2-methyl-4-oxooxolan-2-yl](hydroxy)methyl}-1,6-dioxaspiro[4.5]decan-7-yl)
Pectenotoxin 2 secoacid

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.590
Molar Refractivity: 224.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 39.35
ACD/KOC (pH 5.5): 225.56
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.62
Polar Surface Area: 209 Å2
Polarizability: 89.0±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 665.0±5.0 cm3

Click to predict properties on the Chemicalize site


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