ChemSpider 2D Image | (3R)-3-(1,3-Benzodioxol-5-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-serine | C15H19NO7

(3R)-3-(1,3-Benzodioxol-5-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-serine

  • Molecular FormulaC15H19NO7
  • Average mass325.314 Da
  • Monoisotopic mass325.116150 Da
  • ChemSpider ID22803505

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-3-(1,3-Benzodioxol-5-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-serin [German] [ACD/IUPAC Name]
(3R)-3-(1,3-Benzodioxol-5-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-serine [ACD/IUPAC Name]
(3R)-3-(1,3-Benzodioxol-5-yl)-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-sérine [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-β-hydroxy-, (αS,βR)- [ACD/Index Name]
1134768-34-5 [RN]
BOC-D-threo-3-(benzo[1,3]dioxol-5-yl)serine
MFCD08752525 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 530.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 274.7±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 78.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 238.1±3.0 cm3

Click to predict properties on the Chemicalize site


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