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Search term: C44H68O22 (Found by molecular formula)
ChemSpider 2D Image | nicotianoside II | C44H68O22

nicotianoside II

  • Molecular FormulaC44H68O22
  • Average mass948.997 Da
  • Monoisotopic mass948.420227 Da
  • ChemSpider ID28540467

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(3S,6E,10E,14Z)-16-{[6-O-(Carboxyacetyl)-β-D-glucopyranosyl]oxy}-3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-yl 6-O-(carboxyacetyl)-4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3S,6E,10E,14Z)-16-{[6-O-(Carboxyacetyl)-β-D-glucopyranosyl]oxy}-3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-yl-6-O-(carboxyacetyl)-4-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(2-Carboxyacétyl)-4-O-(6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3S,6E,10E,14Z)-16-{[6-O-(2-carboxyacétyl)-β-D-glucopyranosyl]oxy}-3,7,11,15-tétraméthyl-1,6,10,14-hexadécatétr aén-3-yle [French] [ACD/IUPAC Name]
nicotianoside II
β-D-Glucopyranoside, (1S,4E,8E,12Z)-14-[[6-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-, 6-(2-carbo xyacetate) [ACD/Index Name]
(3S,6E,10E,14Z)-16-{[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy}-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl 6-O-(carboxyacetyl)-4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1080.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 179.2±6.0 kJ/mol
Flash Point: 309.7±27.8 °C
Index of Refraction: 1.588
Molar Refractivity: 227.9±0.4 cm3
#H bond acceptors: 22
#H bond donors: 10
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 4
ACD/LogP: 5.03
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 344 Å2
Polarizability: 90.3±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 677.5±5.0 cm3

Click to predict properties on the Chemicalize site


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