ChemSpider 2D Image | Gramicidin B | C97H139N19O17

Gramicidin B

  • Molecular FormulaC97H139N19O17
  • Average mass1843.259 Da
  • Monoisotopic mass1842.059692 Da
  • ChemSpider ID26333279
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

4422-52-0 [RN]
7F82B1QV4X
formyl-L-Val-Gly-L-Ala-D-Leu-L-Ala-D-Val-L-Val-D-Val-L-Trp-D-Leu-L-Phe-D-Leu-L-Trp-D-Leu-L-Trp-ethanolamine
Gramicidin B [Wiki]
L-Tryptophanamide, N-formyl-L-valylglycyl-L-alanyl-D-leucyl-L-alanyl-D-valyl-L-valyl-D-valyl-L-tryptophyl-D-leucyl-L-phenylalanyl-D-leucyl-L-tryptophyl-D-leucyl-N-(2-hydroxyethyl)- [ACD/Index Name]
N-Formyl-L-valylglycyl-L-alanyl-D-leucyl-L-alanyl-D-valyl-L-valyl-D-valyl-L-tryptophyl-D-leucyl-L-phenylalanyl-D-leucyl-L-tryptophyl-D-leucyl-N-(2-hydroxyethyl)-L-tryptophanamid [German] [ACD/IUPAC Name]
N-Formyl-L-valylglycyl-L-alanyl-D-leucyl-L-alanyl-D-valyl-L-valyl-D-valyl-L-tryptophyl-D-leucyl-L-phenylalanyl-D-leucyl-L-tryptophyl-D-leucyl-N-(2-hydroxyethyl)-L-tryptophanamide [ACD/IUPAC Name]
N-Formyl-L-valylglycyl-L-alanyl-D-leucyl-L-alanyl-D-valyl-L-valyl-D-valyl-L-tryptophyl-D-leucyl-L-phénylalanyl-D-leucyl-L-tryptophyl-D-leucyl-N-(2-hydroxyéthyl)-L-tryptophaneamide [French] [ACD/IUPAC Name]
1405-97-6 [RN]
215-790-4 [EINECS]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 1949.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 337.2±3.0 kJ/mol
Flash Point: 1133.0±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 506.0±0.3 cm3
#H bond acceptors: 36
#H bond donors: 20
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 4
ACD/LogP: 10.67
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2365.07
ACD/KOC (pH 5.5): 9043.08
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2365.07
ACD/KOC (pH 7.4): 9043.07
Polar Surface Area: 533 Å2
Polarizability: 200.6±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 1515.6±3.0 cm3

Click to predict properties on the Chemicalize site





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