ChemSpider 2D Image | [(4E)-6-Acetoxy-7,10-dihydroxy-2-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-3-methyl-12-oxooxacyclododec-4-en-7-yl]methyl acetate | C32H50O10

[(4E)-6-Acetoxy-7,10-dihydroxy-2-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-3-methyl-12-oxooxacyclododec-4-en-7-yl]methyl acetate

  • Molecular FormulaC32H50O10
  • Average mass594.733 Da
  • Monoisotopic mass594.340393 Da
  • ChemSpider ID9482842

  • Double-bond stereo - Double-bond stereo

More details:

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

[(4E)-6-Acetoxy-7,10-dihydroxy-2-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-3-methyl-12-oxooxacyclododec-4-en-7-yl]methyl acetate [ACD/IUPAC Name]
[(4E)-6-Acetoxy-7,10-dihydroxy-2-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-3-methyl-12-oxooxacyclododec-4-en-7-yl]methyl-acetat [German] [ACD/IUPAC Name]
Acétate de [(4E)-6-acétoxy-7,10-dihydroxy-2-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-méthyl-2,4-heptadién-2-yl}-3-méthyl-12-oxooxacyclododéc-4-én-7-yl]méthyle [French] [ACD/IUPAC Name]
Oxacyclododec-9-en-2-one, 8-(acetyloxy)-7-[(acetyloxy)methyl]-4,7-dihydroxy-12-[(1E,3E)-6-[3-(2-hydroxy-1-methylbutyl)oxiranyl]-1,5-dimethyl-1,3-hexadien-1-yl]-11-methyl-, (9E)- [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: 729.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.7±6.0 kJ/mol
Flash Point: 224.3±26.4 °C
Index of Refraction: 1.535
Molar Refractivity: 157.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 350.42
ACD/KOC (pH 5.5): 2306.88
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 350.42
ACD/KOC (pH 7.4): 2306.87
Polar Surface Area: 152 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 505.6±5.0 cm3

Click to predict properties on the Chemicalize site


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