ChemSpider 2D Image | [(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl [(1R)-1-phenylethyl]sulfamate | C20H29NO8S

[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl [(1R)-1-phenylethyl]sulfamate

  • Molecular FormulaC20H29NO8S
  • Average mass443.511 Da
  • Monoisotopic mass443.161377 Da
  • ChemSpider ID30657722

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(1R)-1-Phényléthyl]sulfamate de [(3aS,5aR,8aR,8bS)-2,2,7,7-tétraméthyltétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]méthyle [French] [ACD/IUPAC Name]
[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl [(1R)-1-phenylethyl]sulfamate [ACD/IUPAC Name]
[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl-[(1R)-1-phenylethyl]sulfamat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 526.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.1±32.9 °C
Index of Refraction: 1.525
Molar Refractivity: 108.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 861.54
ACD/KOC (pH 5.5): 4391.13
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 813.16
ACD/KOC (pH 7.4): 4144.54
Polar Surface Area: 110 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 353.5±3.0 cm3

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