ChemSpider 2D Image | Dysidenin | C17H23Cl6N3O2S

Dysidenin

  • Molecular FormulaC17H23Cl6N3O2S
  • Average mass546.166 Da
  • Monoisotopic mass542.964233 Da
  • ChemSpider ID8183181

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S)-5,5,5-Trichlor-N2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-N2-[(3S)-4,4,4-trichlor-3-methylbutanoyl]-L-leucinamid [German] [ACD/IUPAC Name]
(4S)-5,5,5-Trichloro-N2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-N2-[(3S)-4,4,4-trichloro-3-methylbutanoyl]-L-leucinamide [ACD/IUPAC Name]
(4S)-5,5,5-Trichloro-N2-méthyl-N-[(1S)-1-(1,3-thiazol-2-yl)éthyl]-N2-[(3S)-4,4,4-trichloro-3-méthylbutanoyl]-L-leucinamide [French] [ACD/IUPAC Name]
Dysidenin [Wiki]
dysidenine
Pentanamide, 5,5,5-trichloro-4-methyl-2-[methyl[(3S)-4,4,4-trichloro-3-methyl-1-oxobutyl]amino]-N-[(1S)-1-(2-thiazolyl)ethyl]-, (2S,4S)- [ACD/Index Name]
(-)-dysidenin
(2S,4S)-5,5,5-trichloro-4-methyl-2-{methyl[(3S)-4,4,4-trichloro-3-methylbutanoyl]amino}-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pentanamide
(4S)-5,5,5-trichloro-N(2)-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-N(2)-[(3S)-4,4,4-trichloro-3-methylbutanoyl]-L-leucinamide
65647-65-6 [RN]
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  • Miscellaneous

    • Chemical Class:

      A secondary carboxamide resulting from the formal condensation of the carboxy group of (4S)-5,5,5-trichloro-N-methyl-N-[(3S)-4,4,4-trichloro-3-methylbutanoyl]-L-leucine with the amino group of (1S)-1- (1,3-thiazol-2-yl)ethanamine. It is a marine metabolite initially isolated from the sponge dysidea herbacea. ChEBI CHEBI:189706

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

Density: 1.4±0.1 g/cm3
Boiling Point: 627.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.4±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 124.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3636.58
ACD/KOC (pH 5.5): 12310.02
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3638.90
ACD/KOC (pH 7.4): 12317.84
Polar Surface Area: 91 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 383.6±3.0 cm3

Click to predict properties on the Chemicalize site


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