ChemSpider 2D Image | 3-[(3R,6S,9S,12S,15R,18S,21S,24R,27S,30S)-21-(2-amino-2-oxo-ethyl)-9-(3-aminopropyl)-3-benzyl-15,24-bis(1H-indol-3-ylmethyl)-6,27-diisobutyl-12-isopropyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide | C67H91N15O12

3-[(3R,6S,9S,12S,15R,18S,21S,24R,27S,30S)-21-(2-amino-2-oxo-ethyl)-9-(3-aminopropyl)-3-benzyl-15,24-bis(1H-indol-3-ylmethyl)-6,27-diisobutyl-12-isopropyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide

  • Molecular FormulaC67H91N15O12
  • Average mass1298.533 Da
  • Monoisotopic mass1297.697144 Da
  • ChemSpider ID8709858

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

Cyclo(L-asparaginyl-L-glutaminyl-D-tryptophyl-L-valyl-L-ornithyl-L-leucyl-D-phenylalanyl-L-prolyl-L-leucyl-D-tryptophyl) [German] [ACD/IUPAC Name]
Cyclo(L-asparaginyl-L-glutaminyl-D-tryptophyl-L-valyl-L-ornithyl-L-leucyl-D-phénylalanyl-L-prolyl-L-leucyl-D-tryptophyl) [French] [ACD/IUPAC Name]
Streptocidin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1673.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 266.8±3.0 kJ/mol
Flash Point: 965.7±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 352.2±0.4 cm3
#H bond acceptors: 27
#H bond donors: 17
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -0.72
ACD/LogD (pH 5.5): -3.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 426 Å2
Polarizability: 139.6±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 968.9±5.0 cm3

Click to predict properties on the Chemicalize site


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