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Search term: 65321349 (Found by CSID)
ChemSpider 2D Image | loggerpeptin A | C50H72N8O13

loggerpeptin A

  • Molecular FormulaC50H72N8O13
  • Average mass993.153 Da
  • Monoisotopic mass992.521912 Da
  • ChemSpider ID65321349

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

L-Allothreoninamide, N-(1-oxobutyl)-L-alanyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-8-(1-methylethyl)-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-2-(phen ylmethyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]- [ACD/Index Name]
loggerpeptin A
N-Butyryl-L-alanyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-21-hydroxy-5-(4-hydroxybenzyl)-15-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]doco s-12-yl]-L-allothreoninamid [German] [ACD/IUPAC Name]
N-Butyryl-L-alanyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-21-hydroxy-5-(4-hydroxybenzyl)-15-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]doco s-12-yl]-L-allothreoninamide [ACD/IUPAC Name]
N-Butyryl-L-alanyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-21-hydroxy-5-(4-hydroxybenzyl)-15-isobutyl-8-isopropyl-4,11-diméthyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]doco s-12-yl]-L-allothréoninamide [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: 1338.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 211.4±3.0 kJ/mol
Flash Point: 763.3±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 260.1±0.4 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 0.22
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.37
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.28
Polar Surface Area: 302 Å2
Polarizability: 103.1±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 757.4±5.0 cm3

Click to predict properties on the Chemicalize site


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