ChemSpider 2D Image | (1S)-1,5-Anhydro-1-{3-chloro-5-(6-chlorododecyl)-2-(6-chloropentadecyl)-4-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-6-hydroxyphenyl}-D-xylitol | C44H75Cl3O10

(1S)-1,5-Anhydro-1-{3-chloro-5-(6-chlorododecyl)-2-(6-chloropentadecyl)-4-[(6-deoxy-α-L-mannopyranosyl)oxy]-6-hydroxyphenyl}-D-xylitol

  • Molecular FormulaC44H75Cl3O10
  • Average mass870.419 Da
  • Monoisotopic mass868.442566 Da
  • ChemSpider ID40256555

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-{3-chlor-5-(6-chlordodecyl)-2-(6-chlorpentadecyl)-4-[(6-desoxy-α-L-mannopyranosyl)oxy]-6-hydroxyphenyl}-D-xylitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{3-chloro-5-(6-chlorododecyl)-2-(6-chloropentadecyl)-4-[(6-deoxy-α-L-mannopyranosyl)oxy]-6-hydroxyphenyl}-D-xylitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{3-chloro-5-(6-chlorododécyl)-2-(6-chloropentadécyl)-4-[(6-désoxy-α-L-mannopyranosyl)oxy]-6-hydroxyphényl}-D-xylitol [French] [ACD/IUPAC Name]
D-Xylitol, 1,5-anhydro-1-C-[3-chloro-5-(6-chlorododecyl)-2-(6-chloropentadecyl)-4-[(6-deoxy-α-L-mannopyranosyl)oxy]-6-hydroxyphenyl]-, (1S)- [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: 890.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 492.2±34.3 °C
Index of Refraction: 1.552
Molar Refractivity: 230.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 4
ACD/LogP: 13.52
ACD/LogD (pH 5.5): 12.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.22
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 169 Å2
Polarizability: 91.2±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 720.3±3.0 cm3

Click to predict properties on the Chemicalize site


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