ChemSpider 2D Image | venturamide A | C21H24N6O4S2

venturamide A

  • Molecular FormulaC21H24N6O4S2
  • Average mass488.583 Da
  • Monoisotopic mass488.130035 Da
  • ChemSpider ID23280565

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
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(4R,11R,18R)-18-Isopropyl-4,7,11-trimethyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaen-2,9,16-trion [German] [ACD/IUPAC Name]
(4R,11R,18R)-18-Isopropyl-4,7,11-trimethyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione [ACD/IUPAC Name]
(4R,11R,18R)-18-Isopropyl-4,7,11-triméthyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatétracyclo[17.2.1.15,8.112,15]tétracosa-1(21),5(24),7,12(23),14,19(22)-hexaène-2,9,16-trione [French] [ACD/IUPAC Name]
(4R,11R,18R)-4,7,11-trimethyl-18-(propan-2-yl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
6-Oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),7,12(23),14,19(22),21-hexaene-2,9,16-trione, 4,7,11-trimethyl-18-(1-methylethyl)-, (4R,11R,18R)- [ACD/Index Name]
venturamide A
(4R,11R,18R)-4,7,11-trimethyl-18-(propan-2-yl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1(5,8).1(12,15)]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL375099/
  • Miscellaneous

    • Chemical Class:

      An eighteen-membered homodetic cyclic peptide which is isolated from <ital>Oscillatoria</ital> sp. and exhibits antimalarial activity against the W2 chloroquine-resistant strain of the malarial parasi te, <ital>Plasmodium falciparum</ital>. ChEBI CHEBI:66353
      An eighteen-membered homodetic cyclic peptide which is isolated from Oscillatoria sp. and exhibits antimalarial activity against the W2 chloroquine-resistant strain of the malarial parasite, Plasmodiu m falciparum. ChEBI CHEBI:66353

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

Density: 1.3±0.1 g/cm3
Boiling Point: 870.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.5±3.0 kJ/mol
Flash Point: 480.2±34.3 °C
Index of Refraction: 1.557
Molar Refractivity: 123.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.08
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.39
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.39
Polar Surface Area: 196 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 382.9±3.0 cm3

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