ChemSpider 2D Image | 2-Methyl-2-propanyl tetrahydro-2H-pyran-3-yl {iminobis[(2S,3R)-3-hydroxy-1-phenyl-4,2-butanediyl]}biscarbamate | C31H45N3O7

2-Methyl-2-propanyl tetrahydro-2H-pyran-3-yl {iminobis[(2S,3R)-3-hydroxy-1-phenyl-4,2-butanediyl]}biscarbamate

  • Molecular FormulaC31H45N3O7
  • Average mass571.705 Da
  • Monoisotopic mass571.325745 Da
  • ChemSpider ID422868

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

{Iminobis[(2S,3R)-3-hydroxy-1-phényl-4,2-butanediyl]}biscarbamate de 2-méthyl-2-propanyle et de tétrahydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl tetrahydro-2H-pyran-3-yl {iminobis[(2S,3R)-3-hydroxy-1-phenyl-4,2-butanediyl]}biscarbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-tetrahydro-2H-pyran-3-yl-{iminobis[(2S,3R)-3-hydroxy-1-phenyl-4,2-butandiyl]}biscarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, tetrahydro-2H-pyran-3-yl ester [ACD/Index Name]
[1S-(1R*,2S*)]-[Iminobis[2-hydroxy-1(phenylmethyl)-3,1-propanediyl)]bis[carbamic acid], 1,1-dimethylethyl-3-tetrahydropyranyl ester

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

AIDS097441 [DBID]
AIDS-097441 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 758.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 412.2±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 156.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 6.09
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 41.45
ACD/KOC (pH 7.4): 217.52
Polar Surface Area: 138 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 472.1±5.0 cm3

Click to predict properties on the Chemicalize site


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