ChemSpider 2D Image | 2-Methyl-2-propanyl (1S,5S,6S,7S)-7-[(1S)-2-(benzyloxy)-1-(dibenzylamino)ethyl]-2',3-dioxo-3'H-spiro[4-oxabicyclo[3.2.1]octane-6,4'-[1,3]oxazolidine]-3'-carboxylate | C37H42N2O7

2-Methyl-2-propanyl (1S,5S,6S,7S)-7-[(1S)-2-(benzyloxy)-1-(dibenzylamino)ethyl]-2',3-dioxo-3'H-spiro[4-oxabicyclo[3.2.1]octane-6,4'-[1,3]oxazolidine]-3'-carboxylate

  • Molecular FormulaC37H42N2O7
  • Average mass626.739 Da
  • Monoisotopic mass626.299194 Da
  • ChemSpider ID10140591

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Methyl-2-propanyl (1S,5S,6S,7S)-7-[(1S)-2-(benzyloxy)-1-(dibenzylamino)ethyl]-2',3-dioxo-3'H-spiro[4-oxabicyclo[3.2.1]octane-6,4'-[1,3]oxazolidine]-3'-carboxylate [ACD/IUPAC Name]
Spiro[2-oxabicyclo[3.2.1]octane-7,4'-oxazolidine]-3'-carboxylic acid, 6-[(1S)-1-[bis(phenylmethyl)amino]-2-(phenylmethoxy)ethyl]-2',3-dioxo-, 1,1-dimethylethyl ester, (1S,5S,6S,7S)- [ACD/Index 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: 723.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.4±35.7 °C
Index of Refraction: 1.623
Molar Refractivity: 173.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 607.56
ACD/KOC (pH 5.5): 2013.79
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3665.99
ACD/KOC (pH 7.4): 12151.17
Polar Surface Area: 95 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 490.8±5.0 cm3

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