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Search term: NDWIPACUSBPXSZ-KGLIPLIRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S,3R)-2-(Hydroxymethyl)-5-oxotetrahydro-3-furanyl 1-naphthoate | C16H14O5

(2S,3R)-2-(Hydroxymethyl)-5-oxotetrahydro-3-furanyl 1-naphthoate

  • Molecular FormulaC16H14O5
  • Average mass286.279 Da
  • Monoisotopic mass286.084137 Da
  • ChemSpider ID23202185

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-(Hydroxymethyl)-5-oxotetrahydro-3-furanyl 1-naphthoate [ACD/IUPAC Name]
(2S,3R)-2-(Hydroxymethyl)-5-oxotetrahydro-3-furanyl-1-naphthoat [German] [ACD/IUPAC Name]
(2S,3R)-2-(hydroxymethyl)-5-oxotetrahydrofuran-3-yl naphthalene-1-carboxylate (non-preferred name)
1-Naphtoate de (2S,3R)-2-(hydroxyméthyl)-5-oxotétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Naphthalene-1-carboxylic acid (2S,3R)-2-hydroxymethyl-5-oxo-tetrahydro-furan-3-yl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 478.0±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 180.2±13.1 °C
Index of Refraction: 1.641
Molar Refractivity: 75.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.75
ACD/KOC (pH 5.5): 190.46
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.75
ACD/KOC (pH 7.4): 190.46
Polar Surface Area: 73 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 208.7±5.0 cm3

Click to predict properties on the Chemicalize site


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