Found 1 result

Search term: 58992468 (Found by CSID)
ChemSpider 2D Image | (7R,8E,10E)-12-{[1-Carboxy-2-(4-hydroxyphenyl)ethyl]amino}-7,9-dimethyl-12-oxo-8,10-dodecadienoic acid | C23H31NO6

(7R,8E,10E)-12-{[1-Carboxy-2-(4-hydroxyphenyl)ethyl]amino}-7,9-dimethyl-12-oxo-8,10-dodecadienoic acid

  • Molecular FormulaC23H31NO6
  • Average mass417.495 Da
  • Monoisotopic mass417.215149 Da
  • ChemSpider ID58992468

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(7R,8E,10E)-12-{[1-Carboxy-2-(4-hydroxyphenyl)ethyl]amino}-7,9-dimethyl-12-oxo-8,10-dodecadienoic acid [ACD/IUPAC Name]
(7R,8E,10E)-12-{[1-Carboxy-2-(4-hydroxyphenyl)ethyl]amino}-7,9-dimethyl-12-oxo-8,10-dodecadiensäure [German] [ACD/IUPAC Name]
Acide (7R,8E,10E)-12-{[1-carboxy-2-(4-hydroxyphényl)éthyl]amino}-7,9-diméthyl-12-oxo-8,10-dodécadiénoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[(2E,4E,6R)-11-carboxy-4,6-dimethyl-1-oxo-2,4-undecadien-1-yl]amino]-4-hydroxy- [ACD/Index Name]
11′-carboxygymnastatin N

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

Density: 1.2±0.1 g/cm3
Boiling Point: 709.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 383.1±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 351.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement