ChemSpider 2D Image | fusaricidin B | C42H76N10O11

fusaricidin B

  • Molecular FormulaC42H76N10O11
  • Average mass897.113 Da
  • Monoisotopic mass896.569519 Da
  • ChemSpider ID8923602

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

1-Oxa-4,7,10,13,16-pentaazacyclononadecane-6-propanamide, 18-[[15-[(diaminomethylene)amino]-3-hydroxy-1-oxopentadecyl]amino]-9-[(1R)-1-hydroxyethyl]-3,19-dimethyl-12,15-bis(1-methylethyl)-2,5,8,11,14, 17-hexaoxo-, (3R,6R,9R,12S,15R,18S,19R)- [ACD/Index Name]
fusaricidin B
N-{(3R,6R,9R,12S,15R,18S,19R)-6-(3-Amino-3-oxopropyl)-9-[(1R)-1-hydroxyethyl]-12,15-diisopropyl-3,19-dimethyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl}-15-[(diaminomethyl en)amino]-3-hydroxypentadecanamid [German] [ACD/IUPAC Name]
N-{(3R,6R,9R,12S,15R,18S,19R)-6-(3-Amino-3-oxopropyl)-9-[(1R)-1-hydroxyethyl]-12,15-diisopropyl-3,19-dimethyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl}-15-[(diaminomethyl ene)amino]-3-hydroxypentadecanamide [ACD/IUPAC Name]
N-{(3R,6R,9R,12S,15R,18S,19R)-6-(3-Amino-3-oxopropyl)-9-[(1R)-1-hydroxyéthyl]-12,15-diisopropyl-3,19-diméthyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadécan-18-yl}-15-[(diaminométhyl ène)amino]-3-hydroxypentadécanamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.596
Molar Refractivity: 229.3±0.5 cm3
#H bond acceptors: 21
#H bond donors: 14
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -1.54
ACD/LogD (pH 5.5): -3.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 349 Å2
Polarizability: 90.9±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 674.0±7.0 cm3

Click to predict properties on the Chemicalize site


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