ChemSpider 2D Image | (2S,4S)-3-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2,4-bis(2-methoxyphenyl)cyclobutanecarboxylic acid | C34H30O6

(2S,4S)-3-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2,4-bis(2-methoxyphenyl)cyclobutanecarboxylic acid

  • Molecular FormulaC34H30O6
  • Average mass534.598 Da
  • Monoisotopic mass534.204224 Da
  • ChemSpider ID90660327

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,4S)-3-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2,4-bis(2-methoxyphenyl)cyclobutancarbonsäure [German] [ACD/IUPAC Name]
(2S,4S)-3-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2,4-bis(2-methoxyphenyl)cyclobutanecarboxylic acid [ACD/IUPAC Name]
1,3-Cyclobutanedicarboxylic acid, 2,4-bis(2-methoxyphenyl)-, mono(9H-fluoren-9-ylmethyl) ester, (2S,4S)- [ACD/Index Name]
Acide (2S,4S)-3-[(9H-fluorén-9-ylméthoxy)carbonyl]-2,4-bis(2-méthoxyphényl)cyclobutanecarboxylique [French] [ACD/IUPAC Name]
(2S,4S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid
2132990-98-6 [RN]
FABP5-IN-1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 703.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 227.5±26.4 °C
Index of Refraction: 1.628
Molar Refractivity: 149.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.25
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 4587.96
ACD/KOC (pH 5.5): 5816.82
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 80.34
ACD/KOC (pH 7.4): 101.86
Polar Surface Area: 82 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 421.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement