ChemSpider 2D Image | 1,2-Anhydro-5,6-dideoxy-3-C-methyl-1-{(3E,5E)-2-methyl-6-[(4E)-6,7,10-trihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-3,5-heptadien-1-yl}hexitol | C28H46O8

1,2-Anhydro-5,6-dideoxy-3-C-methyl-1-{(3E,5E)-2-methyl-6-[(4E)-6,7,10-trihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-3,5-heptadien-1-yl}hexitol

  • Molecular FormulaC28H46O8
  • Average mass510.660 Da
  • Monoisotopic mass510.319275 Da
  • ChemSpider ID8567060

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2-Anhydro-5,6-dideoxy-3-C-methyl-1-{(3E,5E)-2-methyl-6-[(4E)-6,7,10-trihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-3,5-heptadien-1-yl}hexitol [ACD/IUPAC Name]
1,2-Anhydro-5,6-didesoxy-3-C-methyl-1-{(3E,5E)-2-methyl-6-[(4E)-6,7,10-trihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-3,5-heptadien-1-yl}hexitol [German] [ACD/IUPAC Name]
1,2-Anhydro-5,6-didésoxy-3-C-méthyl-1-{(3E,5E)-2-méthyl-6-[(4E)-6,7,10-trihydroxy-3,7-diméthyl-12-oxooxacyclododéc-4-én-2-yl]-3,5-heptadién-1-yl}hexitol [French] [ACD/IUPAC Name]
Hexitol, 1,2-anhydro-5,6-dideoxy-3-C-methyl-1-C-[(3E,5E)-2-methyl-6-[(4E)-6,7,10-trihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-3,5-heptadien-1-yl]- [ACD/Index Name]
Pladienolide G

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

Density: 1.2±0.1 g/cm3
Boiling Point: 703.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.7±6.0 kJ/mol
Flash Point: 225.0±26.4 °C
Index of Refraction: 1.535
Molar Refractivity: 137.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 55.13
ACD/KOC (pH 5.5): 613.90
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 55.13
ACD/KOC (pH 7.4): 613.90
Polar Surface Area: 140 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 442.1±3.0 cm3

Click to predict properties on the Chemicalize site


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