ChemSpider 2D Image | (1S,2R,7S,13S,15R,19R)-13-Hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-2-(pyruvoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl 4-methyl-1-piperazinecarboxylate | C31H43N3O8

(1S,2R,7S,13S,15R,19R)-13-Hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-2-(pyruvoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl 4-methyl-1-piperazinecarboxylate

  • Molecular FormulaC31H43N3O8
  • Average mass585.688 Da
  • Monoisotopic mass585.304993 Da
  • ChemSpider ID8523773

  • 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,7S,13S,15R,19R)-13-Hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-2-(pyruvoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl 4-methyl-1-piperazinecarboxylate [ACD/IUPAC Name]
(1S,2R,7S,13S,15R,19R)-13-Hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-2-(pyruvoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl-4-methyl-1-piperazincarboxylat [German] [ACD/IUPAC Name]
1-Piperazinecarboxylic acid, 4-methyl-, (1S,2R,7S,13S,15R,19R)-2-[(1,2-dioxopropyl)amino]-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl ester [ACD/Index Name]
4-Méthyl-1-pipérazinecarboxylate de (1S,2R,7S,13S,15R,19R)-13-hydroxy-1,4,10,19-tétraméthyl-17,18-dioxo-2-(pyruvoylamino)-16-oxabicyclo[13.2.2]nonadéca-3,5,9,11-tétraén-7-yle [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.578
Molar Refractivity: 155.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.18
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.20
ACD/KOC (pH 7.4): 90.70
Polar Surface Area: 143 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 468.6±5.0 cm3

Click to predict properties on the Chemicalize site


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