ChemSpider 2D Image | (5R)-5-[(10R)-10-Hydroxy-11-{2-[(2R)-2-hydroxy-2-(1-piperidinyl)ethoxy]ethoxy}-8-undecyn-1-yl]-3-(2-oxopropyl)dihydro-2(3H)-furanone | C27H45NO7

(5R)-5-[(10R)-10-Hydroxy-11-{2-[(2R)-2-hydroxy-2-(1-piperidinyl)ethoxy]ethoxy}-8-undecyn-1-yl]-3-(2-oxopropyl)dihydro-2(3H)-furanone

  • Molecular FormulaC27H45NO7
  • Average mass495.649 Da
  • Monoisotopic mass495.319611 Da
  • ChemSpider ID23126029

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(5R)-5-[(10R)-10-Hydroxy-11-{2-[(2R)-2-hydroxy-2-(1-piperidinyl)ethoxy]ethoxy}-8-undecin-1-yl]-3-(2-oxopropyl)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(5R)-5-[(10R)-10-Hydroxy-11-{2-[(2R)-2-hydroxy-2-(1-piperidinyl)ethoxy]ethoxy}-8-undecyn-1-yl]-3-(2-oxopropyl)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(5R)-5-[(10R)-10-Hydroxy-11-{2-[(2R)-2-hydroxy-2-(1-pipéridinyl)éthoxy]éthoxy}-8-undécyn-1-yl]-3-(2-oxopropyl)dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
(5R)-5-[(10R)-10-hydroxy-11-{2-[(2R)-2-hydroxy-2-(piperidin-1-yl)ethoxy]ethoxy}undec-8-yn-1-yl]-3-(2-oxopropyl)dihydrofuran-2(3H)-one
2(3H)-Furanone, dihydro-5-[(10R)-10-hydroxy-11-[2-[(2R)-2-hydroxy-2-(1-piperidinyl)ethoxy]ethoxy]-8-undecyn-1-yl]-3-(2-oxopropyl)-, (5R)- [ACD/Index Name]
(R)-5-{(R)-10-Hydroxy-11-[2-((R)-2-hydroxy-2-piperidin-1-yl-ethoxy)-ethoxy]-undec-8-ynyl}-3-(2-oxo-propyl)-dihydro-furan-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL418025/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 671.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±6.0 kJ/mol
Flash Point: 359.7±31.5 °C
Index of Refraction: 1.512
Molar Refractivity: 132.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 2.33
ACD/KOC (pH 7.4): 32.79
Polar Surface Area: 106 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 442.6±3.0 cm3

Click to predict properties on the Chemicalize site


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