ChemSpider 2D Image | (3R,4R)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-phenyl-3-piperidinecarboxylic acid | C27H25NO4

(3R,4R)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-phenyl-3-piperidinecarboxylic acid

  • Molecular FormulaC27H25NO4
  • Average mass427.492 Da
  • Monoisotopic mass427.178345 Da
  • ChemSpider ID21473197

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-phenyl-3-piperidincarbonsäure [German] [ACD/IUPAC Name]
(3R,4R)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-phenyl-3-piperidinecarboxylic acid [ACD/IUPAC Name]
(3R,4R)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-phenylpiperidine-3-carboxylic acid
1,3-Piperidinedicarboxylic acid, 4-phenyl-, 1-(9H-fluoren-9-ylmethyl) ester, (3R,4R)- [ACD/Index Name]
1014018-07-5 [RN]
Acide (3R,4R)-1-[(9H-fluorén-9-ylméthoxy)carbonyl]-4-phényl-3-pipéridinecarboxylique [French] [ACD/IUPAC Name]
MFCD08457842 [MDL number]
(3R,4R)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-phenylpiperidine-3-carboxylic acid
cis-4-Phenylpiperidine-3-carboxylic acid N-FMOC protected
cis-4-Phenylpiperidine-3-carboxylic acid, N-FMOC protected
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 638.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 339.9±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 119.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 253.83
ACD/KOC (pH 5.5): 829.11
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 4.13
ACD/KOC (pH 7.4): 13.48
Polar Surface Area: 67 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 335.9±3.0 cm3

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