ChemSpider 2D Image | (3-{[1,3-Dihydroxy-2-(hydroxymethyl)-2-propanyl]amino}-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)acetic acid | C14H26N2O7

(3-{[1,3-Dihydroxy-2-(hydroxymethyl)-2-propanyl]amino}-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)acetic acid

  • Molecular FormulaC14H26N2O7
  • Average mass334.365 Da
  • Monoisotopic mass334.174011 Da
  • ChemSpider ID55906244

More details:

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

(3-{[1,3-Dihydroxy-2-(hydroxymethyl)-2-propanyl]amino}-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)acetic acid [ACD/IUPAC Name]
(3-{[1,3-Dihydroxy-2-(hydroxymethyl)-2-propanyl]amino}-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)essigsäure [German] [ACD/IUPAC Name]
3-Azetidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]- [ACD/Index Name]
Acide (3-{[1,3-dihydroxy-2-(hydroxyméthyl)-2-propanyl]amino}-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-azétidinyl)acétique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 580.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.6±6.0 kJ/mol
Flash Point: 304.6±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 80.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 246.1±5.0 cm3

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