ChemSpider 2D Image | 9H-Fluoren-9-ylmethyl [(6S,8Z,11R)-6-(2-{[(2R)-1-hydroxy-3-phenyl-2-propanyl]amino}-2-oxoethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate | C36H39N3O7

9H-Fluoren-9-ylmethyl [(6S,8Z,11R)-6-(2-{[(2R)-1-hydroxy-3-phenyl-2-propanyl]amino}-2-oxoethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate

  • Molecular FormulaC36H39N3O7
  • Average mass625.711 Da
  • Monoisotopic mass625.278809 Da
  • ChemSpider ID28657193

  • 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

[(6S,8Z,11R)-6-(2-{[(2R)-1-Hydroxy-3-phényl-2-propanyl]amino}-2-oxoéthyl)-5,12-dioxo-1-oxa-4-azacyclododéc-8-én-11-yl]carbamate de 9H-fluorén-9-ylméthyle [French] [ACD/IUPAC Name]
9H-Fluoren-9-ylmethyl [(6S,8Z,11R)-6-(2-{[(2R)-1-hydroxy-3-phenyl-2-propanyl]amino}-2-oxoethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate [ACD/IUPAC Name]
9H-Fluoren-9-ylmethyl-[(6S,8Z,11R)-6-(2-{[(2R)-1-hydroxy-3-phenyl-2-propanyl]amino}-2-oxoethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(6S,8Z,11R)-6-[2-[[(1R)-2-hydroxy-1-(phenylmethyl)ethyl]amino]-2-oxoethyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]-, 9H-fluoren-9-ylmethyl ester [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: 967.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.6±3.0 kJ/mol
Flash Point: 538.7±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 171.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 287.41
ACD/KOC (pH 5.5): 2001.68
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 287.20
ACD/KOC (pH 7.4): 2000.28
Polar Surface Area: 143 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 477.0±5.0 cm3

Click to predict properties on the Chemicalize site


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