ChemSpider 2D Image | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-(2,3,3',3',3',4,4,5,5,5-~2~H_10_)alloisoleucine | C21H13D10NO4

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-(2,3,3',3',3',4,4,5,5,5-2H10)alloisoleucine

  • Molecular FormulaC21H13D10NO4
  • Average mass363.473 Da
  • Monoisotopic mass363.225464 Da
  • ChemSpider ID107444134

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

D-Alloisoleucine-2,3,4,4,5,5,5-d10, N-[(9H-fluoren-9-ylmethoxy)carbonyl]- [ACD/Index Name]
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-(2,3,3',3',3',4,4,5,5,5-2H10)alloisoleucin [German] [ACD/IUPAC Name]
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-(2,3,3',3',3',4,4,5,5,5-2H10)alloisoleucine [ACD/IUPAC Name]
N-[(9H-Fluorén-9-ylméthoxy)carbonyl]-D-(2,3,3',3',3',4,4,5,5,5-2H10)alloisoleucine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 559.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 292.4±25.4 °C
Index of Refraction: 1.583
Molar Refractivity: 97.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 13.78
ACD/KOC (pH 5.5): 63.14
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.81
Polar Surface Area: 76 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 292.6±3.0 cm3

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