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Search term: MF = 'C_{27}H_{33}NO_{6}'
ChemSpider 2D Image | (2S)-8-tert-Butoxy-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-8-oxooctanoic acid | C27H33NO6

(2S)-8-tert-Butoxy-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-8-oxooctanoic acid

  • Molecular FormulaC27H33NO6
  • Average mass467.554 Da
  • Monoisotopic mass467.230774 Da
  • ChemSpider ID24531903

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-8-[(2-methyl-2-propanyl)oxy]-8-oxooctanoic acid [ACD/IUPAC Name]
(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-8-[(2-methyl-2-propanyl)oxy]-8-oxooctansäure [German] [ACD/IUPAC Name]
(2S)-8-tert-Butoxy-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-8-oxooctanoic acid
276869-41-1 [RN]
Acide (2S)-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-8-[(2-méthyl-2-propanyl)oxy]-8-oxooctanoïque [French] [ACD/IUPAC Name]
Octanedioic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 8-(1,1-dimethylethyl) ester, (2S)- [ACD/Index Name]
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid
(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-Octanedioic acid-8-(tert-butyll) ester
(2S)-8-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-8-oxooctanoic acid
(2S)-8-(TERT-BUTOXY)-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}-8-OXOOCTANOIC ACID
More...
  • Miscellaneous

    • Safety:

      H302+H312+H332 W&J PharmaChem, Inc. 204410
      P302+P352+P304+P312+P503+P351+P338+P403+P235+P280+P260 W&J PharmaChem, Inc. 204410

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

Density: 1.2±0.1 g/cm3
Boiling Point: 633.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 337.1±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 54.92
ACD/KOC (pH 5.5): 166.38
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 7.4): 4.98
Polar Surface Area: 102 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 394.8±3.0 cm3

Click to predict properties on the Chemicalize site


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