ChemSpider 2D Image | kasumigamide | C40H50N8O9

kasumigamide

  • Molecular FormulaC40H50N8O9
  • Average mass786.873 Da
  • Monoisotopic mass786.370056 Da
  • ChemSpider ID8756497

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,5R,9S,10R,17R)-5-{3-[(Diaminomethylen)amino]propyl}-9,17-dihydroxy-2-[(R)-hydroxy(phenyl)methyl]-10-(1H-indol-3-ylmethyl)-4,7,12,16-tetraoxo-18-phenyl-3,6,11,15-tetraazaoctadecan-1-säure (non-pref erred name) [German] [ACD/IUPAC Name]
(2R,5R,9S,10R,17R)-5-{3-[(Diaminomethylene)amino]propyl}-9,17-dihydroxy-2-[(R)-hydroxy(phenyl)methyl]-10-(1H-indol-3-ylmethyl)-4,7,12,16-tetraoxo-18-phenyl-3,6,11,15-tetraazaoctadecan-1-oic acid (non- preferred name) [ACD/IUPAC Name]
Acide (2R,5R,9S,10R,17R)-5-{3-[(diaminométhylène)amino]propyl}-9,17-dihydroxy-2-[(R)-hydroxy(phényl)méthyl]-10-(1H-indol-3-ylméthyl)-4,7,12,16-tétraoxo-18-phényl-3,6,11,15-tétraazaoctadécan-1-oïque (n on-preferred name) [French] [ACD/IUPAC Name]
kasumigamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 206.5±0.5 cm3
#H bond acceptors: 17
#H bond donors: 13
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 295 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 557.6±7.0 cm3

Click to predict properties on the Chemicalize site


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