ChemSpider 2D Image | 1,2-Anhydro-3,5-dideoxy-1-(3-hydroxy-2-pentanyl)-4-C-{(1E,3E)-3-methyl-4-[(4E)-6,7,10-trihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl}pentitol | C29H48O8

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

  • Molecular FormulaC29H48O8
  • Average mass524.687 Da
  • Monoisotopic mass524.334900 Da
  • ChemSpider ID9809788

  • 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)-3-methyl-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)-3-methyl-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)-3-méthyl-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)-3-methyl-4-[(4E)-6,7,10-trihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl]- [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: 706.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.1±6.0 kJ/mol
Flash Point: 223.5±26.4 °C
Index of Refraction: 1.531
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.82
ACD/KOC (pH 5.5): 828.59
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.82
ACD/KOC (pH 7.4): 828.59
Polar Surface Area: 140 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 460.5±3.0 cm3

Click to predict properties on the Chemicalize site


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