ChemSpider 2D Image | 5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-{2-[(4-O-alpha-D-idopyranosyl-alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide | C27H46N2O16

5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-{2-[(4-O-α-D-idopyranosyl-α-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide

  • Molecular FormulaC27H46N2O16
  • Average mass654.658 Da
  • Monoisotopic mass654.284729 Da
  • ChemSpider ID25058035

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1-Pyrrolidinepentanamide, N-[2-[2-[2-[(4-O-α-D-idopyranosyl-α-D-mannopyranosyl)oxy]ethoxy]ethoxy]ethyl]-2,5-dioxo- [ACD/Index Name]
5-(2,5-Dioxo-1-pyrrolidinyl)-N-{2-[2-(2-{[4-O-(α-D-idopyranosyl)-α-D-mannopyranosyl]oxy}ethoxy)ethoxy]ethyl}pentanamid [German] [ACD/IUPAC Name]
5-(2,5-Dioxo-1-pyrrolidinyl)-N-{2-[2-(2-{[4-O-(α-D-idopyranosyl)-α-D-mannopyranosyl]oxy}ethoxy)ethoxy]ethyl}pentanamide [ACD/IUPAC Name]
5-(2,5-Dioxo-1-pyrrolidinyl)-N-{2-[2-(2-{[4-O-(α-D-idopyranosyl)-α-D-mannopyranosyl]oxy}éthoxy)éthoxy]éthyl}pentanamide [French] [ACD/IUPAC Name]
5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-{2-[(4-O-α-D-idopyranosyl-α-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 975.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.1±6.0 kJ/mol
Flash Point: 543.7±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -4.86
ACD/LogD (pH 5.5): -4.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 263 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 78.7±5.0 dyne/cm
Molar Volume: 441.2±5.0 cm3

Click to predict properties on the Chemicalize site


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