ChemSpider 2D Image | 2-Methyl-2-propanyl [(1S,2S,3R,4R,5S,6S)-2,3,4,5-tetrakis(benzyloxy)-6-hydroxycyclohexyl]carbamate | C39H45NO7

2-Methyl-2-propanyl [(1S,2S,3R,4R,5S,6S)-2,3,4,5-tetrakis(benzyloxy)-6-hydroxycyclohexyl]carbamate

  • Molecular FormulaC39H45NO7
  • Average mass639.777 Da
  • Monoisotopic mass639.319580 Da
  • ChemSpider ID9839311

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(1S,2S,3R,4R,5S,6S)-2,3,4,5-Tétrakis(benzyloxy)-6-hydroxycyclohexyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(1S,2S,3R,4R,5S,6S)-2,3,4,5-tetrakis(benzyloxy)-6-hydroxycyclohexyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(1S,2S,3R,4R,5S,6S)-2,3,4,5-tetrakis(benzyloxy)-6-hydroxycyclohexyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S,3S,4R,5R,6S)-2-hydroxy-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 741.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 402.4±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 182.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 10.08
ACD/LogD (pH 5.5): 7.93
ACD/BCF (pH 5.5): 631311.75
ACD/KOC (pH 5.5): 493609.72
ACD/LogD (pH 7.4): 7.93
ACD/BCF (pH 7.4): 630690.25
ACD/KOC (pH 7.4): 493123.81
Polar Surface Area: 95 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 527.7±5.0 cm3

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