ChemSpider 2D Image | 5-(2-Carboxyethyl)-6-{[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy}-9-oxo-9H-xanthene-2-carboxylic acid | C30H28O8

5-(2-Carboxyethyl)-6-{[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy}-9-oxo-9H-xanthene-2-carboxylic acid

  • Molecular FormulaC30H28O8
  • Average mass516.539 Da
  • Monoisotopic mass516.178406 Da
  • ChemSpider ID4952780
  • Double-bond stereo - Double-bond stereo


More details:






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

148291-65-0 [RN]
5-(2-Carboxyethyl)-6-{[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy}-9-oxo-9H-xanthen-2-carbonsäure [German] [ACD/IUPAC Name]
5-(2-Carboxyethyl)-6-{[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy}-9-oxo-9H-xanthene-2-carboxylic acid [ACD/IUPAC Name]
9H-Xanthene-4-propanoic acid, 7-carboxy-3-[[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy]-9-oxo- [ACD/Index Name]
Acide 5-(2-carboxyéthyl)-6-{[(5E)-6-(4-méthoxyphényl)-5-hexén-1-yl]oxy}-9-oxo-9H-xanthène-2-carboxylique [French] [ACD/IUPAC Name]
(E)-7-Carboxy-3-((6-(4-methoxyphenyl)-5-hexenyl)oxy)-9-oxo-9H-xanthene-4-propanoic acid
5-(2-Carboxyethyl)-6-((6-(4-methoxyphenyl)hex-5-en-1-yl)oxy)-9-oxo-9H-xanthene-2-carboxylic acid
5-(2-Carboxy-ethyl)-6-[(E)-6-(4-methoxy-phenyl)-hex-5-enyloxy]-9-oxo-9H-xanthene-2-carboxylic acid
5-(2-Carboxy-ethyl)-6-[6-(4-methoxy-phenyl)-hex-5-enyloxy]-9-oxo-9H-xanthene-2-carboxylic acid
5-(2-CARBOXYETHYL)-6-{[(5E)-6-(4-METHOXYPHENYL)HEX-5-EN-1-YL]OXY}-9-OXO-9H-XANTHENE-2-CARBOXYLIC ACID
More...

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

LY 210073 [DBID]
LY-210073 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 775.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 257.2±26.4 °C
Index of Refraction: 1.636
Molar Refractivity: 140.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 76.61
ACD/KOC (pH 5.5): 135.37
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 119 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 393.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement