ChemSpider 2D Image | (2R)-(trans-4-Hydroxycyclohexyl)({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid | C13H23NO5

(2R)-(trans-4-Hydroxycyclohexyl)({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid

  • Molecular FormulaC13H23NO5
  • Average mass273.325 Da
  • Monoisotopic mass273.157623 Da
  • ChemSpider ID28291212

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-(trans-4-Hydroxycyclohexyl)({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid [ACD/IUPAC Name]
(2R)-(trans-4-Hydroxycyclohexyl)({[(2-methyl-2-propanyl)oxy]carbonyl}amino)essigsäure [German] [ACD/IUPAC Name]
130624-89-4 [RN]
Acide (2R)-(trans-4-hydroxycyclohexyl)({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-, trans- [ACD/Index Name]
(2R)-2-{[(tert-butoxy)carbonyl]amino}-2-[(4R)-4-hydroxycyclohexyl]acetic acid
(R)-2-((tert-Butoxycarbonyl)amino)-2-((1r,4R)-4-hydroxycyclohexyl)acetic acid
(R)-2-((tert-butoxycarbonyl)amino)-2-((1r,4R)-4-hydroxycyclohexyl)aceticacid
(R)-2-(tert-butoxycarbonylamino)-2-((1r,4R)-4-hydroxycyclohexyl)acetic acid
[130624-89-4] [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 455.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±6.0 kJ/mol
Flash Point: 229.2±21.8 °C
Index of Refraction: 1.512
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): -2.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 228.6±3.0 cm3

Click to predict properties on the Chemicalize site


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