ChemSpider 2D Image | (5S,6R)-26-{[4-(Dimethylamino)butyl]amino}-2-methyl-14,26-dioxo-5-{[2,3,4-tri-O-acetyl-alpha-L-arabinopyranosyl-(1->3)-alpha-L-arabinopyranosyl-(1->4)-alpha-L-arabinopyranosyl]oxy}-6-hexacosanyl aceta te | C56H98N2O20

(5S,6R)-26-{[4-(Dimethylamino)butyl]amino}-2-methyl-14,26-dioxo-5-{[2,3,4-tri-O-acetyl-α-L-arabinopyranosyl-(1->3)-α-L-arabinopyranosyl-(1->4)-α-L-arabinopyranosyl]oxy}-6-hexacosanyl aceta te

  • Molecular FormulaC56H98N2O20
  • Average mass1119.379 Da
  • Monoisotopic mass1118.671265 Da
  • ChemSpider ID44210810

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(5S,6R)-26-{[4-(Dimethylamino)butyl]amino}-2-methyl-14,26-dioxo-5-{[2,3,4-tri-O-acetyl-α-L-arabinopyranosyl-(1->;3)-α-L-arabinopyranosyl-(1->4)-α-L-arabinopyranosyl]oxy}-6-hexacosanyl aceta te [ACD/IUPAC Name]
(5S,6R)-26-{[4-(Dimethylamino)butyl]amino}-2-methyl-14,26-dioxo-5-{[2,3,4-tri-O-acetyl-α-L-arabinopyranosyl-(1->;3)-α-L-arabinopyranosyl-(1->4)-α-L-arabinopyranosyl]oxy}-6-hexacosanyl-aceta t [German] [ACD/IUPAC Name]
Acétate de (5S,6R)-26-{[4-(diméthylamino)butyl]amino}-2-méthyl-14,26-dioxo-5-{[2,3,4-tri-O-acétyl-α-L-arabinopyranosyl-(1->3)-α-L-arabinopyranosyl-(1->4)-α-L-arabinopyranosyl]oxy}-6-hexaco sanyle [French] [ACD/IUPAC Name]
Hexacosanamide, 21-(acetyloxy)-N-[4-(dimethylamino)butyl]-25-methyl-13-oxo-22-[[O-2,3,4-tri-O-acetyl-α-L-arabinopyranosyl-(1->3)-O-α-L-arabinopyranosyl-(1->4)-α-L-arabinopyranosyl]oxy]-, ( 21R,22S)- [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: 1056.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 175.0±6.0 kJ/mol
Flash Point: 592.5±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 286.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 5
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 7.81
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 29.13
ACD/KOC (pH 5.5): 52.72
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 259.44
ACD/KOC (pH 7.4): 469.52
Polar Surface Area: 291 Å2
Polarizability: 113.7±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 929.2±5.0 cm3

Click to predict properties on the Chemicalize site


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