ChemSpider 2D Image | Methyl (5Z)-7-[(1S,2S,5R)-5-(benzyloxy)-2-(4-morpholinyl)-3-oxocyclopentyl]-5-heptenoate | C24H33NO5

Methyl (5Z)-7-[(1S,2S,5R)-5-(benzyloxy)-2-(4-morpholinyl)-3-oxocyclopentyl]-5-heptenoate

  • Molecular FormulaC24H33NO5
  • Average mass415.522 Da
  • Monoisotopic mass415.235870 Da
  • ChemSpider ID62914720

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5Z)-7-[(1S,2S,5R)-5-(Benzyloxy)-2-(4-morpholinyl)-3-oxocyclopentyl]-5-hepténoate de méthyle [French] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1S,2S,5R)-2-(4-morpholinyl)-3-oxo-5-(phenylmethoxy)cyclopentyl]-, methyl ester, (5Z)- [ACD/Index Name]
Methyl (5Z)-7-[(1S,2S,5R)-5-(benzyloxy)-2-(4-morpholinyl)-3-oxocyclopentyl]-5-heptenoate [ACD/IUPAC Name]
Methyl-(5Z)-7-[(1S,2S,5R)-5-(benzyloxy)-2-(4-morpholinyl)-3-oxocyclopentyl]-5-heptenoat [German] [ACD/IUPAC Name]
74480-27-6 [RN]
methyl (Z)-7-[(1S,2S,5R)-2-morpholin-4-yl-3-oxo-5-phenylmethoxycyclopentyl]hept-5-enoate

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

AH 19437 [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: 536.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.5±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 115.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 68.98
ACD/KOC (pH 5.5): 658.33
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.43
ACD/KOC (pH 7.4): 901.15
Polar Surface Area: 65 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 360.0±5.0 cm3

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