ChemSpider 2D Image | geodiamolide C | C28H40ClN3O6

geodiamolide C

  • Molecular FormulaC28H40ClN3O6
  • Average mass550.087 Da
  • Monoisotopic mass549.260559 Da
  • ChemSpider ID4946559

  • 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

geodiamolide C
N-[(2S,5R,9E,11R,13S)-2-Amino-4-(3-chlor-4-hydroxyphenyl)-5-formyl-13-hydroxy-9,11-dimethyl-7-methylen-3,6-dioxo-9-tetradecen-5-yl]-N-methyl-L-alaninamid [German] [ACD/IUPAC Name]
N-[(2S,5R,9E,11R,13S)-2-Amino-4-(3-chloro-4-hydroxyphenyl)-5-formyl-13-hydroxy-9,11-dimethyl-7-methylene-3,6-dioxo-9-tetradecen-5-yl]-N-methyl-L-alaninamide [ACD/IUPAC Name]
N-[(2S,5R,9E,11R,13S)-2-Amino-4-(3-chloro-4-hydroxyphényl)-5-formyl-13-hydroxy-9,11-diméthyl-7-méthylène-3,6-dioxo-9-tétradécén-5-yl]-N-méthyl-L-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-amino-N-[(1R,5E,7R,9S)-1-[(3S)-3-amino-1-(3-chloro-4-hydroxyphenyl)-2-oxobutyl]-1-formyl-9-hydroxy-5,7-dimethyl-3-methylene-2-oxo-5-decen-1-yl]-N-methyl-, (2S)- [ACD/Index Name]
(2S)-2-AMINO-N-[(2R,6E,8R,10S)-2-[(3S)-3-AMINO-1-(3-CHLORO-4-HYDROXYPHENYL)-2-OXOBUTYL]-10-HYDROXY-6,8-DIMETHYL-4-METHYLIDENE-1,3-DIOXOUNDEC-6-EN-2-YL]-N-METHYLPROPANAMIDE
126596-02-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 690.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 371.6±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 147.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 68.64
ACD/KOC (pH 7.4): 345.32
Polar Surface Area: 164 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 454.2±3.0 cm3

Click to predict properties on the Chemicalize site


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