ChemSpider 2D Image | (2S)-2-({Hydroxy[(2-methyl-2-propanyl)oxy]methylene}amino)dodecanoic acid | C17H33NO4

(2S)-2-({Hydroxy[(2-methyl-2-propanyl)oxy]methylene}amino)dodecanoic acid

  • Molecular FormulaC17H33NO4
  • Average mass315.448 Da
  • Monoisotopic mass315.240967 Da
  • ChemSpider ID57262100
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-({Hydroxy[(2-methyl-2-propanyl)oxy]methylen}amino)dodecansäure [German] [ACD/IUPAC Name]
(2S)-2-({Hydroxy[(2-methyl-2-propanyl)oxy]methylene}amino)dodecanoic acid [ACD/IUPAC Name]
Acide (2S)-2-({hydroxy[(2-méthyl-2-propanyl)oxy]méthylène}amino)dodécanoïque [French] [ACD/IUPAC Name]
Dodecanoic acid, 2-[[(1,1-dimethylethoxy)hydroxymethylene]amino]-, (2S)- [ACD/Index Name]
(2S)-2-(Boc-amino)dodecanoic acid
146276-04-2 [RN]
BOC-ADOD(2)-OH
Boc-L-2Ado-OH
Boc-S-2-amino-Dodecanoic acid
MFCD08275831
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 430.0±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±6.0 kJ/mol
Flash Point: 213.8±29.3 °C
Index of Refraction: 1.475
Molar Refractivity: 87.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 17.12
ACD/KOC (pH 5.5): 45.29
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 2.64
ACD/KOC (pH 7.4): 6.99
Polar Surface Area: 79 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 34.0±7.0 dyne/cm
Molar Volume: 311.2±7.0 cm3

Click to predict properties on the Chemicalize site






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