ChemSpider 2D Image | 9H-Fluoren-9-ylmethyl [(3R,6S,8Z,11S)-6-{2-[(2-hydroxyethyl)amino]-2-oxoethyl}-3-(2-methyl-2-propanyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate | C33H41N3O7

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

  • Molecular FormulaC33H41N3O7
  • Average mass591.695 Da
  • Monoisotopic mass591.294434 Da
  • ChemSpider ID26402207

  • 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

[(3R,6S,8Z,11S)-6-{2-[(2-Hydroxyéthyl)amino]-2-oxoéthyl}-3-(2-méthyl-2-propanyl)-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 [(3R,6S,8Z,11S)-6-{2-[(2-hydroxyethyl)amino]-2-oxoethyl}-3-(2-methyl-2-propanyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate [ACD/IUPAC Name]
9H-Fluoren-9-ylmethyl-[(3R,6S,8Z,11S)-6-{2-[(2-hydroxyethyl)amino]-2-oxoethyl}-3-(2-methyl-2-propanyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3R,6S,8Z,11S)-3-(1,1-dimethylethyl)-6-[2-[(2-hydroxyethyl)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: 894.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.2±3.0 kJ/mol
Flash Point: 494.6±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 169.81
ACD/KOC (pH 5.5): 1373.46
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.69
ACD/KOC (pH 7.4): 1372.51
Polar Surface Area: 143 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 467.5±5.0 cm3

Click to predict properties on the Chemicalize site


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