ChemSpider 2D Image | (2R)-(3-Hydroxyadamantan-1-yl)({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid | C17H27NO5

(2R)-(3-Hydroxyadamantan-1-yl)({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid

  • Molecular FormulaC17H27NO5
  • Average mass325.400 Da
  • Monoisotopic mass325.188934 Da
  • ChemSpider ID26944089
  • defined stereocentres - 1 of 5 defined stereocentres


More details:






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

(2R)-(3-Hydroxyadamantan-1-yl)({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid [ACD/IUPAC Name]
(2R)-(3-Hydroxyadamantan-1-yl)({[(2-methyl-2-propanyl)oxy]carbonyl}amino)essigsäure [German] [ACD/IUPAC Name]
Acide (2R)-(3-hydroxyadamantan-1-yl)({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)acétique [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (αR)- [ACD/Index Name]
(?R)?-?-?[[(1,?1-?dimethylethoxy)?carbonyl]?amino]?-?3-?hydroxy-Tricyclo[3.3.1.13,?7]?decane-?1-?acetic acid?
(¦ÁS)-¦Á-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic acid
(2R)-2-((Tert-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)acetic acid
(aS)-a-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic acid
1334321-39-9 [RN]
361442-00-4 [RN]
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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: 497.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.1±6.0 kJ/mol
Flash Point: 254.5±21.8 °C
Index of Refraction: 1.575
Molar Refractivity: 82.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.46
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 251.1±3.0 cm3

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