ChemSpider 2D Image | (4E)-7,10-Dihydroxy-2-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-3,7-dimethyl-12-oxooxacyclododec-4-en-6-yl acetate | C30H48O8

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

  • Molecular FormulaC30H48O8
  • Average mass536.697 Da
  • Monoisotopic mass536.334900 Da
  • ChemSpider ID7982974

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-7,10-Dihydroxy-2-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-3,7-dimethyl-12-oxooxacyclododec-4-en-6-yl acetate [ACD/IUPAC Name]
(4E)-7,10-Dihydroxy-2-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-3,7-dimethyl-12-oxooxacyclododec-4-en-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (4E)-7,10-dihydroxy-2-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-méthyl-2,4-heptadién-2-yl}-3,7-diméthyl-12-oxooxacyclododéc-4-én-6-yle [French] [ACD/IUPAC Name]
Oxacyclododec-9-en-2-one, 8-(acetyloxy)-4,7-dihydroxy-12-[(1E,3E)-6-[3-(2-hydroxy-1-methylbutyl)oxiranyl]-1,5-dimethyl-1,3-hexadien-1-yl]-7,11-dimethyl-, (9E)- [ACD/Index Name]
pladienolide B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 673.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±6.0 kJ/mol
Flash Point: 209.6±25.0 °C
Index of Refraction: 1.533
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 473.59
ACD/KOC (pH 5.5): 2861.92
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 473.59
ACD/KOC (pH 7.4): 2861.92
Polar Surface Area: 126 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 470.8±5.0 cm3

Click to predict properties on the Chemicalize site


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