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Search term: OSVUNQYEGPCQKH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Methyl-2-propanyl 1-(3-pyridinyl)ethyl {iminobis[(2S,3R)-3-hydroxy-1-phenyl-4,2-butanediyl]}biscarbamate | C33H44N4O6

2-Methyl-2-propanyl 1-(3-pyridinyl)ethyl {iminobis[(2S,3R)-3-hydroxy-1-phenyl-4,2-butanediyl]}biscarbamate

  • Molecular FormulaC33H44N4O6
  • Average mass592.726 Da
  • Monoisotopic mass592.326111 Da
  • ChemSpider ID422824

  • 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 1-(3-pyridinyl)éthyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-(3-pyridinyl)ethyl {iminobis[(2S,3R)-3-hydroxy-1-phenyl-4,2-butanediyl]}biscarbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-(3-pyridinyl)ethyl-{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]-, 1-(3-pyridinyl)ethyl ester [ACD/Index Name]
[R-(R*,S*)]-[Iminobis[2-hydroxy-1-(phenylmethyl)-3,1-propanediyl)]biscarbamic acid, 1,1-dimethylethyl-1-(3-pyridinyl)ethyl ester

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

AIDS097388 [DBID]
AIDS-097388 [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: 776.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 423.4±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 164.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 9.97
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 93.82
ACD/KOC (pH 7.4): 392.13
Polar Surface Area: 142 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 498.7±3.0 cm3

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