ChemSpider 2D Image | 2-O-palmitoyl-alpha,alpha-trehalose | C28H52O12

2-O-palmitoyl-α,α-trehalose

  • Molecular FormulaC28H52O12
  • Average mass580.705 Da
  • Monoisotopic mass580.345886 Da
  • ChemSpider ID34448941

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-O-palmitoyl-α,α-trehalose
2-O-Palmitoyl-α-D-glucopyranosyl α-D-glucopyranoside [ACD/IUPAC Name]
2-O-Palmitoyl-α-D-glucopyranosyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside de 2-O-palmitoyl-α-D-glucopyranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, 2-O-(1-oxohexadecyl)-α-D-glucopyranosyl [ACD/Index Name]
2-O-hexadecanoyl-α,α-trehalose
2-O-hexadecanoyl-α-D-glucopyranosyl α-D-glucopyranoside
2-O-hexadecanoyl-α-D-glucosyl α-D-glucoside
2-palmitoyl-trehalose
trehalose-2-palmitate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 733.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.3±6.0 kJ/mol
Flash Point: 229.7±26.4 °C
Index of Refraction: 1.548
Molar Refractivity: 145.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 265.02
ACD/KOC (pH 5.5): 1888.82
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 265.02
ACD/KOC (pH 7.4): 1888.78
Polar Surface Area: 196 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 457.1±5.0 cm3

Click to predict properties on the Chemicalize site


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