ChemSpider 2D Image | (2S,4S)-2,4-Bis(2-methoxyphenyl)-3-[(1-naphthyloxy)carbonyl]cyclobutanecarboxylic acid | C30H26O6

(2S,4S)-2,4-Bis(2-methoxyphenyl)-3-[(1-naphthyloxy)carbonyl]cyclobutanecarboxylic acid

  • Molecular FormulaC30H26O6
  • Average mass482.524 Da
  • Monoisotopic mass482.172943 Da
  • ChemSpider ID90664490

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,4S)-2,4-Bis(2-methoxyphenyl)-3-[(1-naphthyloxy)carbonyl]cyclobutancarbonsäure [German] [ACD/IUPAC Name]
(2S,4S)-2,4-Bis(2-methoxyphenyl)-3-[(1-naphthyloxy)carbonyl]cyclobutanecarboxylic acid [ACD/IUPAC Name]
1,3-Cyclobutanedicarboxylic acid, 2,4-bis(2-methoxyphenyl)-, mono(1-naphthalenyl) ester, (2S,4S)- [ACD/Index Name]
Acide (2S,4S)-2,4-bis(2-méthoxyphényl)-3-[(1-naphtyloxy)carbonyl]cyclobutanecarboxylique [French] [ACD/IUPAC Name]
(2S,4S)-2,4-bis(2-methoxyphenyl)-3-naphthalen-1-yloxycarbonylcyclobutane-1-carboxylic acid
2132990-90-8 [RN]
FABP-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: 671.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 223.1±25.0 °C
Index of Refraction: 1.638
Molar Refractivity: 135.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 745.08
ACD/KOC (pH 5.5): 1566.83
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 13.16
ACD/KOC (pH 7.4): 27.67
Polar Surface Area: 82 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 376.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement