ChemSpider 2D Image | 9H-Fluoren-9-ylmethyl (10-{2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-3,11-dioxo-4,5,6,9,10,11,13,14,15,15a-decahydro-1H,3H-pyrrolo[2,1-c][1,4]oxazacyclotridecin-4-yl)carbamate | C36H43N3O7

9H-Fluoren-9-ylmethyl (10-{2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-3,11-dioxo-4,5,6,9,10,11,13,14,15,15a-decahydro-1H,3H-pyrrolo[2,1-c][1,4]oxazacyclotridecin-4-yl)carbamate

  • Molecular FormulaC36H43N3O7
  • Average mass629.742 Da
  • Monoisotopic mass629.310120 Da
  • ChemSpider ID2563742

More details:

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

(10-{2-[2-(Hydroxyméthyl)-1-pyrrolidinyl]-2-oxoéthyl}-3,11-dioxo-4,5,6,9,10,11,13,14,15,15a-décahydro-1H,3H-pyrrolo[2,1-c][1,4]oxazacyclotridécin-4-yl)carbamate de 9H-fluorén-9-ylméthyle [French] [ACD/IUPAC Name]
9H-Fluoren-9-ylmethyl (10-{2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-3,11-dioxo-4,5,6,9,10,11,13,14,15,15a-decahydro-1H,3H-pyrrolo[2,1-c][1,4]oxazacyclotridecin-4-yl)carbamate [ACD/IUPAC Name]
9H-Fluoren-9-ylmethyl-(10-{2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-3,11-dioxo-4,5,6,9,10,11,13,14,15,15a-decahydro-1H,3H-pyrrolo[2,1-c][1,4]oxazacyclotridecin-4-yl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[4,5,6,9,10,11,13,14,15,15a-decahydro-10-[2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-3,11-dioxo-1H,3H-pyrrolo[2,1-c][1,4]oxaazacyclotridecin-4-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: 887.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.2±3.0 kJ/mol
Flash Point: 490.7±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 171.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 297.82
ACD/KOC (pH 5.5): 2053.35
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 297.69
ACD/KOC (pH 7.4): 2052.44
Polar Surface Area: 125 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 475.9±5.0 cm3

Click to predict properties on the Chemicalize site


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