ChemSpider 2D Image | (2S,3S,4S,5S)-6-Oxo-6-(1-pyrrolidinyl)-1,2,3,4,5-hexanepentayl pentaacetate (non-preferred name) | C20H29NO11

(2S,3S,4S,5S)-6-Oxo-6-(1-pyrrolidinyl)-1,2,3,4,5-hexanepentayl pentaacetate (non-preferred name)

  • Molecular FormulaC20H29NO11
  • Average mass459.444 Da
  • Monoisotopic mass459.174072 Da
  • ChemSpider ID62406434

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,4S,5S)-6-Oxo-6-(1-pyrrolidinyl)-1,2,3,4,5-hexanepentayl pentaacetate (non-preferred name) [ACD/IUPAC Name]
(2S,3S,4S,5S)-6-Oxo-6-(1-pyrrolidinyl)-1,2,3,4,5-hexanpentayl-pentaacetat (non-preferred name) [German] [ACD/IUPAC Name]
Pentaacétate de (2S,3S,4S,5S)-6-oxo-6-(1-pyrrolidinyl)-1,2,3,4,5-hexanepentayle (non-preferred name) [French] [ACD/IUPAC 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: 566.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.3±30.1 °C
Index of Refraction: 1.492
Molar Refractivity: 104.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.48
ACD/KOC (pH 5.5): 85.05
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.48
ACD/KOC (pH 7.4): 85.05
Polar Surface Area: 152 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 361.0±3.0 cm3

Click to predict properties on the Chemicalize site


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