ChemSpider 2D Image | polydiscamide B | C75H109BrN18O21S

polydiscamide B

  • Molecular FormulaC75H109BrN18O21S
  • Average mass1710.745 Da
  • Monoisotopic mass1708.691895 Da
  • ChemSpider ID23314597

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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D-alaninamide, N-formyl-D-alanyl-4-bromo-L-phenylalanyl-L-prolyl-3-methyl-D-valyl-3-methyl-L-alloisoleucyl-D-tryptophyl-L-arginyl-N-[(3R,6R,7S,10S,13R,18aS)-10-(3-amino-3-oxopropyl)-3-(carboxymethyl)hexadecahydro-6,9-dimethyl-13-(1-methylethyl)-1,4,8,11,14-pentaoxo-6H-pyrrolo[2,1-f][1,4,7,10,13]oxatetraazacyclohexadecin-7-yl]-3-sulfo-
D-Alaninamide, N-formyl-D-alanyl-4-bromo-L-phenylalanyl-L-prolyl-3-methyl-D-valyl-3-methyl-L-isoleucyl-D-tryptophyl-L-arginyl-N-[(3R,6R,7S,10S,13R,18aS)-10-(3-amino-3-oxopropyl)-3-(carboxymethyl)hexad ecahydro-6,9-dimethyl-13-(1-methylethyl)-1,4,8,11,14-pentaoxo-6H-pyrrolo[2,1-f][1,4,7,10,13]oxatetraazacyclohexadecin-7-yl]-3-sulfo- [ACD/Index Name]
N-Formyl-D-alanyl-4-brom-L-phenylalanyl-L-prolyl-3-methyl-D-valyl-3-methyl-L-isoleucyl-D-tryptophyl-L-arginyl-N-[(3R,6R,7S,10S,13R,18aS)-10-(3-amino-3-oxopropyl)-3-(carboxymethyl)-13-isopropyl-6,9-dim ethyl-1,4,8,11,14-pentaoxohexadecahydro-6H-pyrrolo[2,1-f][1,4,7,10,13]oxatetraazacyclohexadecin-7-yl]-3-sulfo-D-alaninamid [German] [ACD/IUPAC Name]
N-formyl-D-alanyl-4-bromo-L-phenylalanyl-L-prolyl-3-methyl-D-valyl-3-methyl-L-alloisoleucyl-D-tryptophyl-L-arginyl-N-[(3R,6R,7S,10S,13R,18aS)-10-(3-amino-3-oxopropyl)-3-(carboxymethyl)-6,9-dimethyl-1,4,8,11,14-pentaoxo-13-(propan-2-yl)hexadecahydro-6H-pyrrolo[2,1-f][1,4,7,10,13]oxatetraazacyclohexadecin-7-yl]-3-sulfo-D-alaninamide
N-Formyl-D-alanyl-4-bromo-L-phenylalanyl-L-prolyl-3-methyl-D-valyl-3-methyl-L-isoleucyl-D-tryptophyl-L-arginyl-N-[(3R,6R,7S,10S,13R,18aS)-10-(3-amino-3-oxopropyl)-3-(carboxymethyl)-13-isopropyl-6,9-di methyl-1,4,8,11,14-pentaoxohexadecahydro-6H-pyrrolo[2,1-f][1,4,7,10,13]oxatetraazacyclohexadecin-7-yl]-3-sulfo-D-alaninamide [ACD/IUPAC Name]
N-Formyl-D-alanyl-4-bromo-L-phénylalanyl-L-prolyl-3-méthyl-D-valyl-3-méthyl-L-isoleucyl-D-tryptophyl-L-arginyl-N-[(3R,6R,7S,10S,13R,18aS)-10-(3-amino-3-oxopropyl)-3-(carboxyméthyl)-13-isopropyl-6,9-di méthyl-1,4,8,11,14-pentaoxohexadécahydro-6H-pyrrolo[2,1-f][1,4,7,10,13]oxatétraazacyclohexadécin-7-yl]-3-sulfo-D-alaninamide [French] [ACD/IUPAC Name]
polydiscamide B

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 420.3±0.5 cm3
#H bond acceptors: 39
#H bond donors: 19
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: -2.18
ACD/LogD (pH 5.5): -6.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 599 Å2
Polarizability: 166.6±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 1130.8±7.0 cm3

Click to predict properties on the Chemicalize site


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