ChemSpider 2D Image | (2S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]octahydro-1H-indole-2-carboxylic acid | C24H25NO4

(2S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]octahydro-1H-indole-2-carboxylic acid

  • Molecular FormulaC24H25NO4
  • Average mass391.460 Da
  • Monoisotopic mass391.178345 Da
  • ChemSpider ID23894788
  • defined stereocentres - 1 of 3 defined stereocentres


More details:






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

(2S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]octahydro-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
(2S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]octahydro-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
130309-37-4 [RN]
1H-Indole-1,2-dicarboxylic acid, octahydro-, 1-(9H-fluoren-9-ylmethyl) ester, (2S)- [ACD/Index Name]
Acide (2S)-1-[(9H-fluorén-9-ylméthoxy)carbonyl]octahydro-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]
MFCD00191201 [MDL number]
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
(2S)-1-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-OCTAHYDROINDOLE-2-CARBOXYLIC ACID
(2S)-1-{[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
(2S,3aS,7aS)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)octahydro-1H-indole-2-carboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 592.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 312.1±25.4 °C
Index of Refraction: 1.619
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 114.90
ACD/KOC (pH 5.5): 380.40
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 7.22
Polar Surface Area: 67 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 306.0±3.0 cm3

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