ChemSpider 2D Image | 5-[4-({[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}methyl)-3,5-dimethoxyphenoxy]pentanoic acid | C29H31NO7

5-[4-({[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}methyl)-3,5-dimethoxyphenoxy]pentanoic acid

  • Molecular FormulaC29H31NO7
  • Average mass505.559 Da
  • Monoisotopic mass505.210052 Da
  • ChemSpider ID115660

More details:






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

115109-65-4 [RN]
5-[4-({[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}methyl)-3,5-dimethoxyphenoxy]pentanoic acid [ACD/IUPAC Name]
5-[4-({[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}methyl)-3,5-dimethoxyphenoxy]pentansäure [German] [ACD/IUPAC Name]
Acide 5-[4-({[(9H-fluorén-9-ylméthoxy)carbonyl]amino}méthyl)-3,5-diméthoxyphénoxy]pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[4-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-3,5-dimethoxyphenoxy]- [ACD/Index Name]
[115109-65-4] [RN]
4-Adpv
5-(4-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)-3,5-dimethoxyphenoxy)pentanoic acid
5-(4-((((9H-Fluoren-9-ylmethoxy)carbonyl)amino)methyl)-3,5-dimethoxyphenoxy)pentanoic acid
5-(4-(9-fluorenylmethyloxycarbonyl)aminomethyl-3,5-dimethoxyphenoxy)valeric acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

00755_FLUKA [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 733.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 397.1±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 137.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 698.54
ACD/KOC (pH 5.5): 2114.18
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 11.02
ACD/KOC (pH 7.4): 33.37
Polar Surface Area: 103 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 408.1±3.0 cm3

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