ChemSpider 2D Image | (6E,12E)-1,14-Dihydroxy-6,12-tetradecadiene-8,10-diyn-3-yl 2-O-alpha-L-lyxopyranosyl-beta-D-allopyranoside | C25H36O12

(6E,12E)-1,14-Dihydroxy-6,12-tetradecadiene-8,10-diyn-3-yl 2-O-α-L-lyxopyranosyl-β-D-allopyranoside

  • Molecular FormulaC25H36O12
  • Average mass528.546 Da
  • Monoisotopic mass528.220703 Da
  • ChemSpider ID113606397

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(6E,12E)-1,14-Dihydroxy-6,12-tetradecadien-8,10-diin-3-yl-2-O-α-L-lyxopyranosyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
(6E,12E)-1,14-Dihydroxy-6,12-tetradecadiene-8,10-diyn-3-yl 2-O-α-L-lyxopyranosyl-β-D-allopyranoside [ACD/IUPAC Name]
2-O-α-L-Lyxopyranosyl-β-D-allopyranoside de (6E,12E)-1,14-dihydroxy-6,12-tétradécadiène-8,10-diyn-3-yle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (4E,10E)-12-hydroxy-1-(2-hydroxyethyl)-4,10-dodecadiene-6,8-diyn-1-yl 2-O-α-L-lyxopyranosyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 864.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.8±6.0 kJ/mol
Flash Point: 476.8±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.43
ACD/KOC (pH 5.5): 84.17
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.43
ACD/KOC (pH 7.4): 84.17
Polar Surface Area: 199 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 84.5±5.0 dyne/cm
Molar Volume: 362.6±5.0 cm3

Click to predict properties on the Chemicalize site


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