Found 12 results

Search term: C49H74N10O12 (Found by molecular formula)
ChemSpider 2D Image | (2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]hexanoic acid | C49H74N10O12

(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]hexanoic acid

  • Molecular FormulaC49H74N10O12
  • Average mass995.172 Da
  • Monoisotopic mass994.548767 Da
  • ChemSpider ID8052130

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

L-Phenylalanyl-L-seryl-L-tyrosyl-L-leucyl-L-prolyl-L-isoleucyl-L-glutaminyl-L-lysin [German] [ACD/IUPAC Name]
L-Phénylalanyl-L-séryl-L-tyrosyl-L-leucyl-L-prolyl-L-isoleucyl-L-glutaminyl-L-lysine [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: 1393.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 221.6±3.0 kJ/mol
Flash Point: 796.4±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 260.7±0.3 cm3
#H bond acceptors: 22
#H bond donors: 15
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 2.31
ACD/LogD (pH 5.5): -2.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 368 Å2
Polarizability: 103.4±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 783.0±3.0 cm3

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