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Search term: 101935350 (Found by CSID)
ChemSpider 2D Image | verruculin | C47H66N8O11

verruculin

  • Molecular FormulaC47H66N8O11
  • Average mass919.074 Da
  • Monoisotopic mass918.485107 Da
  • ChemSpider ID101935350

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

D-Glutamamide, N1-[(3R,6S,9R,16S,17R)-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-9-(1H-indol-3-ylmethyl)-17-methyl-2,5,8,11,15-pentaoxo-1-oxa-4,7,10,14-tetraazacycloheptadec-16-yl]-N2-(1-oxodod ;ecyl)- [ACD/Index Name]
N2-Dodecanoyl-N1-[(3R,6S,9R,16S,17R)-3-(4-hydroxybenzyl)-6-(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-17-methyl-2,5,8,11,15-pentaoxo-1-oxa-4,7,10,14-tetraazacycloheptadecan-16-yl]-D-glutamamid [German] [ACD/IUPAC Name]
N2-Dodecanoyl-N1-[(3R,6S,9R,16S,17R)-3-(4-hydroxybenzyl)-6-(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-17-methyl-2,5,8,11,15-pentaoxo-1-oxa-4,7,10,14-tetraazacycloheptadecan-16-yl]-D-glutamamide [ACD/IUPAC Name]
N2-Dodecanoyl-N1-[(3R,6S,9R,16S,17R)-3-(4-hydroxybenzyl)-6-(hydroxyméthyl)-9-(1H-indol-3-ylméthyl)-17-méthyl-2,5,8,11,15-pentaoxo-1-oxa-4,7,10,14-tétraazacycloheptadécan-16-yl]-D-glutamamide [French] [ACD/IUPAC Name]
verruculin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1363.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 216.0±3.0 kJ/mol
Flash Point: 778.3±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 244.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.24
ACD/KOC (pH 5.5): 360.58
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.15
ACD/KOC (pH 7.4): 359.40
Polar Surface Area: 300 Å2
Polarizability: 97.1±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 701.7±5.0 cm3

Click to predict properties on the Chemicalize site


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