Found 1 result

Search term: 78441287 (Found by CSID)
ChemSpider 2D Image | (1S,2S,3R)-2-(2,5-Dihydroxybenzoyl)-3-(3-oxo-1-propen-2-yl)cyclopentanecarboxylic acid | C16H16O6

(1S,2S,3R)-2-(2,5-Dihydroxybenzoyl)-3-(3-oxo-1-propen-2-yl)cyclopentanecarboxylic acid

  • Molecular FormulaC16H16O6
  • Average mass304.295 Da
  • Monoisotopic mass304.094696 Da
  • ChemSpider ID78441287

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S,3R)-2-(2,5-Dihydroxybenzoyl)-3-(3-oxo-1-propen-2-yl)cyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1S,2S,3R)-2-(2,5-Dihydroxybenzoyl)-3-(3-oxo-1-propen-2-yl)cyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,2S,3R)-2-(2,5-dihydroxybenzoyl)-3-(3-oxo-1-propén-2-yl)cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 2-(2,5-dihydroxybenzoyl)-3-(1-formylethenyl)-, (1S,2S,3R)- [ACD/Index Name]
(-)-applanatumol V

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

Density: 1.4±0.1 g/cm3
Boiling Point: 595.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 327.9±26.6 °C
Index of Refraction: 1.617
Molar Refractivity: 76.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.04
ACD/LogD (pH 7.4): -1.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 217.7±3.0 cm3

Click to predict properties on the Chemicalize site


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