ChemSpider 2D Image | (1S,2R,3Z,5E,7S,9Z,11Z,13S,15R,19R)-1,4,10,19-Tetramethyl-17,18-dioxo-2-(pyruvoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraene-7,13-diyl dipentanoate | C35H49NO9

(1S,2R,3Z,5E,7S,9Z,11Z,13S,15R,19R)-1,4,10,19-Tetramethyl-17,18-dioxo-2-(pyruvoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraene-7,13-diyl dipentanoate

  • Molecular FormulaC35H49NO9
  • Average mass627.765 Da
  • Monoisotopic mass627.340759 Da
  • ChemSpider ID4949547

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2R,3Z,5E,7S,9Z,11Z,13S,15R,19R)-1,4,10,19-Tetramethyl-17,18-dioxo-2-(pyruvoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7,13-diyl-dipentanoat [German] [ACD/IUPAC Name]
(1S,2R,3Z,5E,7S,9Z,11Z,13S,15R,19R)-1,4,10,19-Tetramethyl-17,18-dioxo-2-(pyruvoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraene-7,13-diyl dipentanoate [ACD/IUPAC Name]
Dipentanoate de (1S,2R,3Z,5E,7S,9Z,11Z,13S,15R,19R)-1,4,10,19-tétraméthyl-17,18-dioxo-2-(pyruvoylamino)-16-oxabicyclo[13.2.2]nonadéca-3,5,9,11-tétraène-7,13-diyle [French] [ACD/IUPAC Name]
Pentanoic acid, (1S,2R,3Z,5E,7S,9Z,11Z,13S,15R,19R)-2-[(1,2-dioxopropyl)amino]-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraene-7,13-diyl ester [ACD/Index Name]
51733-51-8 [RN]
Lankacidin C 8,14-divalerate
Pentanoic acid, 2-((1,2-dioxopropyl)amino)-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo(13.2.2)nonadeca-3,5,9,11-tetraene-7,13-diyl ester, (1S-(1R*,2S*,3E,5E,7R*,9E,11E,13R*,15S*,19S*))-

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.532
Molar Refractivity: 168.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4529.79
ACD/KOC (pH 5.5): 14408.30
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4527.05
ACD/KOC (pH 7.4): 14399.60
Polar Surface Area: 142 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 544.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement