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Search term: MF = 'C_{9}H_{19}NO_{5}S'

ChemSpider 2D Image | (2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)propyl methanesulfonate | C9H19NO5S

(2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)propyl methanesulfonate

  • Molecular FormulaC9H19NO5S
  • Average mass253.316 Da
  • Monoisotopic mass253.098389 Da
  • ChemSpider ID26584115
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)propyl methanesulfonate [ACD/IUPAC Name]
(2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)propyl-methansulfonat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-1-methyl-2-[(methylsulfonyl)oxy]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
Méthanesulfonate de (2R)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propyle [French] [ACD/IUPAC Name]
(R)-N-Boc-alaninol O-mesylate
126301-17-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 397.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.5±23.2 °C
Index of Refraction: 1.462
Molar Refractivity: 59.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.95
ACD/KOC (pH 5.5): 109.37
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.95
ACD/KOC (pH 7.4): 109.36
Polar Surface Area: 90 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 217.2±3.0 cm3

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