ChemSpider 2D Image | 9H-Fluoren-9-ylmethyl (2S,3S,4S)-2-{(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl}-3,4-bis[(2-methyl-2-propanyl)oxy]-1-pyrrolidinecarboxylate | C34H47NO7

9H-Fluoren-9-ylmethyl (2S,3S,4S)-2-{(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl}-3,4-bis[(2-methyl-2-propanyl)oxy]-1-pyrrolidinecarboxylate

  • Molecular FormulaC34H47NO7
  • Average mass581.740 Da
  • Monoisotopic mass581.335266 Da
  • ChemSpider ID77414469

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3S,4S)-2-{(1S)-1-[(4S)-2,2-Diméthyl-1,3-dioxolan-4-yl]-2-hydroxyéthyl}-3,4-bis[(2-méthyl-2-propanyl)oxy]-1-pyrrolidinecarboxylate de 9H-fluorén-9-ylméthyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]-3,4-bis(1,1-dimethylethoxy)-, 9H-fluoren-9-ylmethyl ester, (2S,3S,4S)- [ACD/Index Name]
9H-Fluoren-9-ylmethyl (2S,3S,4S)-2-{(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl}-3,4-bis[(2-methyl-2-propanyl)oxy]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
9H-Fluoren-9-ylmethyl-(2S,3S,4S)-2-{(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl}-3,4-bis[(2-methyl-2-propanyl)oxy]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 658.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 352.2±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 161.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10499.44
ACD/KOC (pH 5.5): 26299.05
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10499.44
ACD/KOC (pH 7.4): 26299.05
Polar Surface Area: 87 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 485.1±5.0 cm3

Click to predict properties on the Chemicalize site


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