ChemSpider 2D Image | [(4E)-6,7,10-Trihydroxy-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 | C30H48O9

[(4E)-6,7,10-Trihydroxy-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 FormulaC30H48O9
  • Average mass552.697 Da
  • Monoisotopic mass552.329834 Da
  • ChemSpider ID9607734

  • Double-bond stereo - Double-bond stereo

More details:

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

[(4E)-6,7,10-Trihydroxy-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)-6,7,10-Trihydroxy-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)-6,7,10-trihydroxy-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, 7-[(acetyloxy)methyl]-4,7,8-trihydroxy-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: 1.1±0.1 g/cm3
Boiling Point: 702.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.6±6.0 kJ/mol
Flash Point: 219.4±26.4 °C
Index of Refraction: 1.521
Molar Refractivity: 147.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.78
ACD/KOC (pH 5.5): 1267.40
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.77
ACD/KOC (pH 7.4): 1267.40
Polar Surface Area: 146 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 484.5±3.0 cm3

Click to predict properties on the Chemicalize site


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