ChemSpider 2D Image | (3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid | C20H19NO6

(3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid

  • Molecular FormulaC20H19NO6
  • Average mass369.368 Da
  • Monoisotopic mass369.121246 Da
  • ChemSpider ID21390813
  • defined stereocentres - 1 of 1 defined stereocentres


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

(3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid [ACD/IUPAC Name]
(3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid (non-preferred name)
(3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-methoxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-4-méthoxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-methyl ester [ACD/Index Name]
MFCD03701473 [MDL number]
(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methoxy-4-oxobutanoic acid
(3S)-3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-4-methoxy-4-oxobutanoic acid (non-preferred name)
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxy-4-oxobutanoic acid
(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methoxy-4-oxobutanoic 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: 609.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 322.5±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 11.80
ACD/KOC (pH 5.5): 71.95
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.42
Polar Surface Area: 102 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 279.2±3.0 cm3

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