ChemSpider 2D Image | 5-(tetra-O-benzyl-alpha-glucopyranosyl)-1,3-pentadiene | C39H42O5

5-(tetra-O-benzyl-α-glucopyranosyl)-1,3-pentadiene

  • Molecular FormulaC39H42O5
  • Average mass590.748 Da
  • Monoisotopic mass590.303223 Da
  • ChemSpider ID20143946

  • 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-2,3,4,6-tetra-O-benzyl-1-[(2E)-2,4-pentadien-1-yl]-D-glucitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-[(2E)-2,4-pentadien-1-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,3,4,6-tétra-O-benzyl-1-[(2E)-2,4-pentadién-1-yl]-D-glucitol [French] [ACD/IUPAC Name]
5-(tetra-O-benzyl-α-glucopyranosyl)-1,3-pentadiene
D-glycero-L-gulo-Undeca-8,10-dienitol, 2,6-anhydro-7,8,9,10,11-pentadeoxy-1,3,4,5-tetrakis-O-(phenylmethyl)-, (8E)- [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: 689.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 254.6±31.4 °C
Index of Refraction: 1.603
Molar Refractivity: 176.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 10.47
ACD/LogD (pH 5.5): 9.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2179964.75
ACD/LogD (pH 7.4): 9.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2179964.75
Polar Surface Area: 46 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 514.1±5.0 cm3

Click to predict properties on the Chemicalize site


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