ChemSpider 2D Image | SCH-2046273 | C29H33FN2O5

SCH-2046273

  • Molecular FormulaC29H33FN2O5
  • Average mass508.581 Da
  • Monoisotopic mass508.237335 Da
  • ChemSpider ID34988514

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-Fluorophényl)-2-pyridinyl]vinyl}-1-méthyl-3-oxododécahydronaphto[2,3-c]furan-6-yl]carbamate de 2-hydroxyéthyle [French] [ACD/IUPAC Name]
1256919-03-5 [RN]
2-Hydroxyethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]vinyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate [ACD/IUPAC Name]
2-Hydroxyethyl-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorphenyl)-2-pyridinyl]vinyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-, 2-hydroxyethyl ester [ACD/Index Name]
SCH-2046273

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

9D8C5T8E6W [DBID]
UNII:9D8C5T8E6W [DBID]
UNII-9D8C5T8E6W [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 720.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.7±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 510.53
ACD/KOC (pH 5.5): 2998.24
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 523.49
ACD/KOC (pH 7.4): 3074.38
Polar Surface Area: 98 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 391.4±5.0 cm3

Click to predict properties on the Chemicalize site


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