ChemSpider 2D Image | (1R)-1,5-Anhydro-3,4-di-O-benzyl-2-O-(2-benzylbenzyl)-1-[(2E)-2,4-pentadien-1-yl]-D-glucitol | C39H42O5

(1R)-1,5-Anhydro-3,4-di-O-benzyl-2-O-(2-benzylbenzyl)-1-[(2E)-2,4-pentadien-1-yl]-D-glucitol

  • Molecular FormulaC39H42O5
  • Average mass590.748 Da
  • Monoisotopic mass590.303223 Da
  • ChemSpider ID4943636

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-3,4-di-O-benzyl-2-O-(2-benzylbenzyl)-1-[(2E)-2,4-pentadien-1-yl]-D-glucitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-3,4-di-O-benzyl-2-O-(2-benzylbenzyl)-1-[(2E)-2,4-pentadien-1-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-3,4-di-O-benzyl-2-O-(2-benzylbenzyl)-1-[(2E)-2,4-pentadién-1-yl]-D-glucitol [French] [ACD/IUPAC Name]
D-glycero-L-gulo-Undeca-8,10-dienitol, 2,6-anhydro-7,8,9,10,11-pentadeoxy-3,4-bis-O-(phenylmethyl)-5-O-[[2-(phenylmethyl)phenyl]methyl]-, (8E)- [ACD/Index Name]
125365-10-8 [RN]
5-(TETRA-O-BENZYL-A-GLUCOPYRANOSYL)-1,3-PENTADIENE
5-(tetra-O-benzyl-α-glucopyranosyl)-1,3-pentadiene
Tetrabenzyl-glu-pentadiene

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

Density: 1.2±0.1 g/cm3
Boiling Point: 703.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 379.0±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 176.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 10.22
ACD/LogD (pH 5.5): 8.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1423440.75
ACD/LogD (pH 7.4): 8.78
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1423440.75
Polar Surface Area: 57 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 504.9±5.0 cm3

Click to predict properties on the Chemicalize site


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