ChemSpider 2D Image | (2S)-2-[(2R)-3,4-Dihydroxy-5-oxo-2,5-dihydro-2-furanyl]-2-hydroxyethyl octanoate | C14H22O7

(2S)-2-[(2R)-3,4-Dihydroxy-5-oxo-2,5-dihydro-2-furanyl]-2-hydroxyethyl octanoate

  • Molecular FormulaC14H22O7
  • Average mass302.320 Da
  • Monoisotopic mass302.136566 Da
  • ChemSpider ID18601342

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(2R)-3,4-Dihydroxy-5-oxo-2,5-dihydro-2-furanyl]-2-hydroxyethyl octanoate [ACD/IUPAC Name]
(2S)-2-[(2R)-3,4-Dihydroxy-5-oxo-2,5-dihydro-2-furanyl]-2-hydroxyethyl-octanoat [German] [ACD/IUPAC Name]
(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl]-2-hydroxyethyl octanoate (non-preferred name)
Octanoate de (2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2,5-dihydro-2-furanyl]-2-hydroxyéthyle [French] [ACD/IUPAC Name]
(S)-2-((R)-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl octanoate
16690-38-3 [RN]
6-O-octanoyl-l-ascorbic acid
ASCORBYL OCTANOATE
Ascorbyl octanoate, L-
L-Ascorbic acid, 6-octanoate
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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: 414.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.1±6.0 kJ/mol
Flash Point: 147.0±22.2 °C
Index of Refraction: 1.549
Molar Refractivity: 72.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.52
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 228.2±3.0 cm3

Click to predict properties on the Chemicalize site


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