ChemSpider 2D Image | Spinorphin | C45H64N8O10

Spinorphin

  • Molecular FormulaC45H64N8O10
  • Average mass877.037 Da
  • Monoisotopic mass876.474548 Da
  • ChemSpider ID2339355
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

137201-62-8 [RN]
Leucyl-valyl-valyl-tyrosyl-prolyl-tryptophyl-threonine
Leu-val-val-tyr-pro-trp-thr
L-Leucyl-L-valyl-L-valyl-L-tyrosyl-L-prolyl-L-tryptophyl-L-threonin [German] [ACD/IUPAC Name]
L-Leucyl-L-valyl-L-valyl-L-tyrosyl-L-prolyl-L-tryptophyl-L-threonine [ACD/IUPAC Name]
L-Leucyl-L-valyl-L-valyl-L-tyrosyl-L-prolyl-L-tryptophyl-L-thréonine [French] [ACD/IUPAC Name]
L-Threonine, L-leucyl-L-valyl-L-valyl-L-tyrosyl-L-prolyl-L-tryptophyl- [ACD/Index Name]
LVVYPWT
Spinorphin [Wiki]
(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 1256.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 196.4±3.0 kJ/mol
Flash Point: 713.6±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 234.4±0.3 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 4.38
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.05
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 285 Å2
Polarizability: 92.9±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 686.3±3.0 cm3

Click to predict properties on the Chemicalize site


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