ChemSpider 2D Image | (1S,2R,7S,13S,19R)-7-Hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-2-(pyruvoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-13-yl acetate | C27H35NO8

(1S,2R,7S,13S,19R)-7-Hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-2-(pyruvoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-13-yl acetate

  • Molecular FormulaC27H35NO8
  • Average mass501.569 Da
  • Monoisotopic mass501.236267 Da
  • ChemSpider ID9180798
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres


More details:






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

(1S,2R,7S,13S,19R)-7-Hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-2-(pyruvoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-13-yl acetate [ACD/IUPAC Name]
(1S,2R,7S,13S,19R)-7-Hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-2-(pyruvoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-13-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1S,2R,7S,13S,19R)-7-hydroxy-1,4,10,19-tétraméthyl-17,18-dioxo-2-(pyruvoylamino)-16-oxabicyclo[13.2.2]nonadéca-3,5,9,11-tétraén-13-yle [French] [ACD/IUPAC Name]
Propanamide, N-[(1S,2R,7S,13S,19R)-13-(acetyloxy)-7-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.552
Molar Refractivity: 131.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.48
ACD/KOC (pH 5.5): 187.04
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.47
ACD/KOC (pH 7.4): 186.94
Polar Surface Area: 136 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 410.7±5.0 cm3

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