ChemSpider 2D Image | (2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraen-1-yl 6-deoxy-alpha-L-mannopyranosyl-(1->6)-[2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl-(1->2)]-beta-D-glucopyranoside | C44H70O17

(2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraen-1-yl 6-deoxy-α-L-mannopyranosyl-(1->6)-[2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranosyl-(1->2)]-β-D-glucopyranoside

  • Molecular FormulaC44H70O17
  • Average mass871.016 Da
  • Monoisotopic mass870.461304 Da
  • ChemSpider ID22912817

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraen-1-yl 6-deoxy-α-L-mannopyranosyl-(1->6)-[2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranosyl-(1->2)]-β-D-glucopyranoside [ACD/IUPAC Name]
(2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraen-1-yl-6-desoxy-α-L-mannopyranosyl-(1->6)-[2,3,4-tri-O-acetyl-6-desoxy-α-L-mannopyranosyl-(1->2)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->6)-[2,3,4-tri-O-acétyl-6-désoxy-α-L-mannopyranosyl-(1->2)]-β-D-glucopyranoside de (2E,6E,10E)-3,7,11,15-tétraméthyl-2,6,10,14-hexadécatétraén-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl O-6-deoxy-α-L-mannopyranosyl-(1->6)-O-[2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranosyl-(1->2)]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 888.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.7±6.0 kJ/mol
Flash Point: 250.4±27.8 °C
Index of Refraction: 1.548
Molar Refractivity: 221.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 4
ACD/LogP: 9.99
ACD/LogD (pH 5.5): 6.60
ACD/BCF (pH 5.5): 60702.15
ACD/KOC (pH 5.5): 92341.90
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 60701.42
ACD/KOC (pH 7.4): 92340.78
Polar Surface Area: 235 Å2
Polarizability: 87.9±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 698.6±5.0 cm3

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