ChemSpider 2D Image | 4-C-{(1E,3E)-4-[(4E)-6-Acetoxy-10-hydroxy-3,7,9-trimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl}-1,2-anhydro-3,5-dideoxy-1-(3-hydroxy-2-pentanyl)pentitol | C31H50O8

4-C-{(1E,3E)-4-[(4E)-6-Acetoxy-10-hydroxy-3,7,9-trimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl}-1,2-anhydro-3,5-dideoxy-1-(3-hydroxy-2-pentanyl)pentitol

  • Molecular FormulaC31H50O8
  • Average mass550.724 Da
  • Monoisotopic mass550.350586 Da
  • ChemSpider ID10170656

  • Double-bond stereo - Double-bond stereo

More details:

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

4-C-{(1E,3E)-4-[(4E)-6-Acetoxy-10-hydroxy-3,7,9-trimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl}-1,2-anhydro-3,5-dideoxy-1-(3-hydroxy-2-pentanyl)pentitol [ACD/IUPAC Name]
4-C-{(1E,3E)-4-[(4E)-6-Acetoxy-10-hydroxy-3,7,9-trimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl}-1,2-anhydro-3,5-didesoxy-1-(3-hydroxy-2-pentanyl)pentitol [German] [ACD/IUPAC Name]
4-C-{(1E,3E)-4-[(4E)-6-Acétoxy-10-hydroxy-3,7,9-triméthyl-12-oxooxacyclododéc-4-én-2-yl]-1,3-pentadién-1-yl}-1,2-anhydro-3,5-didésoxy-1-(3-hydroxy-2-pentanyl)pentitol [French] [ACD/IUPAC Name]
Pentitol, 4-C-[(1E,3E)-4-[(4E)-6-(acetyloxy)-10-hydroxy-3,7,9-trimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl]-1,2-anhydro-3,5-dideoxy-1-C-(2-hydroxy-1-methylbutyl)- [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: 689.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.6±6.0 kJ/mol
Flash Point: 213.0±25.0 °C
Index of Refraction: 1.531
Molar Refractivity: 150.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1017.40
ACD/KOC (pH 5.5): 4947.24
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1017.40
ACD/KOC (pH 7.4): 4947.24
Polar Surface Area: 126 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 487.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement