ChemSpider 2D Image | Ascorbic acid, 2,6-dipalmitate | C38H68O8

Ascorbic acid, 2,6-dipalmitate

  • Molecular FormulaC38H68O8
  • Average mass652.942 Da
  • Monoisotopic mass652.491394 Da
  • ChemSpider ID18619274

  • defined stereocentres - 2 of 2 defined stereocentres

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

(2S)-2-Hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-(palmitoyloxy)-2,5-dihydro-2-furanyl]ethyl palmitate [ACD/IUPAC Name]
(2S)-2-Hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-(palmitoyloxy)-2,5-dihydro-2-furanyl]ethylpalmitat [German] [ACD/IUPAC Name]
(2S)-2-Hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-(palmitoyloxy)-2,5-dihydrofuran-2-yl]ethyl palmitate (non-preferred name)
28474-90-0 [RN]
4218-81-9 [RN]
Ascorbic acid, 2,6-dipalmitate
Palmitate de (2S)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-(palmitoyloxy)-2,5-dihydro-2-furanyl]茅thyle [French] [ACD/IUPAC Name]
(2S)-2-[(2R)-4-(hexadecanoyloxy)-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]-2-hydroxyethyl hexadecanoate
(2S)-2-[(2R)-4-(HEXADECANOYLOXY)-3-HYDROXY-5-OXO-2H-FURAN-2-YL]-2-HYDROXYETHYL HEXADECANOATE
(S)-2-Hydroxy-2-((R)-3-hydroxy-5-oxo-4-(palmitoyloxy)-2,5-dihydrofuran-2-yl)ethyl palmitate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

624RX3IESR [DBID]
UNII:624RX3IESR [DBID]
  • Experimental data
  • Predicted - ACD/Labs
  • Predicted - ChemAxon
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      113 掳C TCI A0757
  • Predicted Physico-chemical Properties

    • Predicted Melting Point:

      113 掳C TCI
      113 掳C TCI A0757

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

Density: 1.0卤0.1 g/cm3
Boiling Point: 687.0卤55.0 °C at 760 mmHg
Vapour Pressure: 0.0卤4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.2卤6.0 kJ/mol
Flash Point: 193.6卤25.0 °C
Index of Refraction: 1.500
Molar Refractivity: 184.0卤0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 13.97
ACD/LogD (pH 5.5): 10.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 413487.81
ACD/LogD (pH 7.4): 9.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 109696.58
Polar Surface Area: 119 Å2
Polarizability: 73.0卤0.5 10-24cm3
Surface Tension: 43.7卤5.0 dyne/cm
Molar Volume: 626.0卤5.0 cm3

Click to predict properties on the Chemicalize site

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