Found 1 result

Search term: WBQWYSKGOKXFTF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Antillatoxin B | C33H47N3O5

Antillatoxin B

  • Molecular FormulaC33H47N3O5
  • Average mass565.743 Da
  • Monoisotopic mass565.351563 Da
  • ChemSpider ID8160989

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6S,9S,14R,15R)-7,9,14-Trimethyl-13-methylen-6-(2-phenylethyl)-15-[(2E,4E)-4,6,6-trimethyl-2,4-heptadien-2-yl]-1-oxa-4,7,10-triazacyclopentadecan-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(6S,9S,14R,15R)-7,9,14-Trimethyl-13-methylene-6-(2-phenylethyl)-15-[(2E,4E)-4,6,6-trimethyl-2,4-heptadien-2-yl]-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [ACD/IUPAC Name]
(6S,9S,14R,15R)-7,9,14-Triméthyl-13-méthylène-6-(2-phényléthyl)-15-[(2E,4E)-4,6,6-triméthyl-2,4-heptadién-2-yl]-1-oxa-4,7,10-triazacyclopentadécane-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
1-Oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone, 7,9,14-trimethyl-13-methylene-6-(2-phenylethyl)-15-[(1E,3E)-1,3,5,5-tetramethyl-1,3-hexadien-1-yl]-, (6S,9S,14R,15R)- [ACD/Index Name]
Antillatoxin B
(6S,9S,14R,15R)-7,9,14-trimethyl-13-methylidene-6-(2-phenylethyl)-15-[(2E,4E)-4,6,6-trimethylhepta-2,4-dien-2-yl]-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL454716/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 803.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 439.9±34.3 °C
Index of Refraction: 1.549
Molar Refractivity: 161.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 389.35
ACD/KOC (pH 5.5): 2487.53
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 389.35
ACD/KOC (pH 7.4): 2487.53
Polar Surface Area: 105 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 509.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement