ChemSpider 2D Image | 4-{(1E,3E)-4-[(4E)-6-Acetoxy-7,10-dihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl}-1,2-anhydro-4,5-dideoxy-1-(3-methoxy-2-pentanyl)pentitol | C31H50O9

4-{(1E,3E)-4-[(4E)-6-Acetoxy-7,10-dihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl}-1,2-anhydro-4,5-dideoxy-1-(3-methoxy-2-pentanyl)pentitol

  • Molecular FormulaC31H50O9
  • Average mass566.723 Da
  • Monoisotopic mass566.345459 Da
  • ChemSpider ID8091622

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{(1E,3E)-4-[(4E)-6-Acetoxy-7,10-dihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl}-1,2-anhydro-4,5-dideoxy-1-(3-methoxy-2-pentanyl)pentitol [ACD/IUPAC Name]
4-{(1E,3E)-4-[(4E)-6-Acetoxy-7,10-dihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl}-1,2-anhydro-4,5-didesoxy-1-(3-methoxy-2-pentanyl)pentitol [German] [ACD/IUPAC Name]
4-{(1E,3E)-4-[(4E)-6-Acétoxy-7,10-dihydroxy-3,7-diméthyl-12-oxooxacyclododéc-4-én-2-yl]-1,3-pentadién-1-yl}-1,2-anhydro-4,5-didésoxy-1-(3-méthoxy-2-pentanyl)pentitol [French] [ACD/IUPAC Name]
Pentitol, 4-[(1E,3E)-4-[(4E)-6-(acetyloxy)-7,10-dihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl]-1,2-anhydro-4,5-dideoxy-1-C-(2-methoxy-1-methylbutyl)- [ACD/Index Name]
FD-895

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

Density: 1.1±0.1 g/cm3
Boiling Point: 693.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.1±6.0 kJ/mol
Flash Point: 213.3±25.0 °C
Index of Refraction: 1.531
Molar Refractivity: 152.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 385.11
ACD/KOC (pH 5.5): 2468.11
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 385.11
ACD/KOC (pH 7.4): 2468.11
Polar Surface Area: 135 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 493.4±5.0 cm3

Click to predict properties on the Chemicalize site


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