ChemSpider 2D Image | (6E,10E,14Z)-16-{[6-O-(6-Deoxy-beta-D-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-yl 4-O-(6-deoxy-beta-D-mannopyranosyl)-beta-D-glucopyranoside | C44H74O20

(6E,10E,14Z)-16-{[6-O-(6-Deoxy-β-D-mannopyranosyl)-β-D-glucopyranosyl]oxy}-3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-yl 4-O-(6-deoxy-β-D-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC44H74O20
  • Average mass923.046 Da
  • Monoisotopic mass922.477356 Da
  • ChemSpider ID8804989

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 20 of 21 defined stereocentres

More details:

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

(6E,10E,14Z)-16-{[6-O-(6-Deoxy-β-D-mannopyranosyl)-β-D-glucopyranosyl]oxy}-3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-yl 4-O-(6-deoxy-β-D-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(6E,10E,14Z)-16-{[6-O-(6-Desoxy-β-D-mannopyranosyl)-β-D-glucopyranosyl]oxy}-3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-yl-4-O-(6-desoxy-β-D-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-(6-Désoxy-β-D-mannopyranosyl)-β-D-glucopyranoside de (6E,10E,14Z)-16-{[6-O-(6-désoxy-β-D-mannopyranosyl)-β-D-glucopyranosyl]oxy}-3,7,11,15-tétraméthyl-1,6,10,14-hexadécatétraén-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (4E,8E,12Z)-14-[[6-O-(6-deoxy-β-D-mannopyranosyl)-β-D-glucopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 4-O-(6-deoxy-β-D-mannopyranosyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1062.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 176.1±6.0 kJ/mol
Flash Point: 596.4±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 228.4±0.4 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.03
ACD/KOC (pH 5.5): 378.10
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.03
ACD/KOC (pH 7.4): 378.10
Polar Surface Area: 317 Å2
Polarizability: 90.5±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 669.3±5.0 cm3

Click to predict properties on the Chemicalize site


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