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

1,2-Anhydro-3,5-dideoxy-1-(3-hydroxy-2-pentanyl)-4-C-{(1E,3E)-4-[(4E)-6,7,10-trihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl}pentitol

  • Molecular FormulaC28H46O8
  • Average mass510.660 Da
  • Monoisotopic mass510.319275 Da
  • ChemSpider ID8250612

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2-Anhydro-3,5-dideoxy-1-(3-hydroxy-2-pentanyl)-4-C-{(1E,3E)-4-[(4E)-6,7,10-trihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl}pentitol [ACD/IUPAC Name]
1,2-Anhydro-3,5-didesoxy-1-(3-hydroxy-2-pentanyl)-4-C-{(1E,3E)-4-[(4E)-6,7,10-trihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl}pentitol [German] [ACD/IUPAC Name]
1,2-Anhydro-3,5-didésoxy-1-(3-hydroxy-2-pentanyl)-4-C-{(1E,3E)-4-[(4E)-6,7,10-trihydroxy-3,7-diméthyl-12-oxooxacyclododéc-4-én-2-yl]-1,3-pentadién-1-yl}pentitol [French] [ACD/IUPAC Name]
Pentitol, 1,2-anhydro-3,5-dideoxy-1-C-(2-hydroxy-1-methylbutyl)-4-C-[(1E,3E)-4-[(4E)-6,7,10-trihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl]- [ACD/Index Name]
Pladienolide F

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

Density: 1.1±0.1 g/cm3
Boiling Point: 699.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.0±6.0 kJ/mol
Flash Point: 223.4±25.0 °C
Index of Refraction: 1.534
Molar Refractivity: 138.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.87
ACD/KOC (pH 5.5): 460.34
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.87
ACD/KOC (pH 7.4): 460.34
Polar Surface Area: 140 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 444.2±3.0 cm3

Click to predict properties on the Chemicalize site


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