ChemSpider 2D Image | 2-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-serine | C9H17NO5

2-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-serine

  • Molecular FormulaC9H17NO5
  • Average mass219.235 Da
  • Monoisotopic mass219.110672 Da
  • ChemSpider ID21521427

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-2-((tert-butoxycarbonyl)amino)-3-hydroxy-2-methylpropanoic acid
2-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-serin [German] [ACD/IUPAC Name]
2-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-serine [ACD/IUPAC Name]
2-Méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-sérine [French] [ACD/IUPAC Name]
84311-18-2 [RN]
D-Serine, N-[(1,1-dimethylethoxy)carbonyl]-2-methyl- [ACD/Index Name]
(2R)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-HYDROXY-2-METHYLPROPANOIC ACID
(2R)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-3-HYDROXY-2-METHYLPROPANOIC ACID
(2R)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
(R)-2-((tert-Butoxycarbonyl)amino)-3-hydroxy-2-methylpropanoicacid
More...

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

CCRIS 4693 [DBID]
  • Miscellaneous

    • Appearance:

      Not Available Novochemy [NC-46160]

    • Safety:

      20/21/22 Novochemy [NC-46160]
      20/21/36/37/39 Novochemy [NC-46160]
      GHS07; GHS09 Novochemy [NC-46160]
      H332; H403 Novochemy [NC-46160]
      IRRITANT Matrix Scientific 042085
      Irritant SynQuest 4158-1-R9
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-46160]
      R52/2395 Novochemy [NC-46160]
      Warning Novochemy [NC-46160]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 387.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.6±6.0 kJ/mol
Flash Point: 187.9±26.5 °C
Index of Refraction: 1.486
Molar Refractivity: 52.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 181.6±3.0 cm3

Click to predict properties on the Chemicalize site


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