Found 1 result

Search term: 78437037 (Found by CSID)
ChemSpider 2D Image | N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(4-Aminobutyl)-5-benzyl-21-hydroxy-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]-N~2~-hexanoyl -L-alpha-asparagine | C46H72N8O12

N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(4-Aminobutyl)-5-benzyl-21-hydroxy-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]-N2-hexanoyl -L-α-asparagine

  • Molecular FormulaC46H72N8O12
  • Average mass929.110 Da
  • Monoisotopic mass928.526978 Da
  • ChemSpider ID78437037

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(4-Aminobutyl)-5-benzyl-21-hydroxy-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]-N2-hexanoyl -L-α-asparagin [German] [ACD/IUPAC Name]
N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(4-Aminobutyl)-5-benzyl-21-hydroxy-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]-N2-hexanoyl -L-α-asparagine [ACD/IUPAC Name]
N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(4-Aminobutyl)-5-benzyl-21-hydroxy-2-isobutyl-8-isopropyl-4,11-diméthyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]-N2-hexanoyl -L-α-asparagine [French] [ACD/IUPAC Name]
Cyanopeptolin B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1247.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 194.8±3.0 kJ/mol
Flash Point: 708.1±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 243.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -1.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 296 Å2
Polarizability: 96.4±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 730.0±5.0 cm3

Click to predict properties on the Chemicalize site


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