ChemSpider 2D Image | L-Alanyl-L-seryl-L-leucyl-L-alpha-aspartyl-L-lysyl-L-phenylalanyl-L-leucyl-L-alanyl-L-seryl-L-valyl-L-seryl-L-threonyl-L-valyl-L-leucine | C66H111N15O21

L-Alanyl-L-seryl-L-leucyl-L-α-aspartyl-L-lysyl-L-phenylalanyl-L-leucyl-L-alanyl-L-seryl-L-valyl-L-seryl-L-threonyl-L-valyl-L-leucine

  • Molecular FormulaC66H111N15O21
  • Average mass1450.675 Da
  • Monoisotopic mass1449.807861 Da
  • ChemSpider ID169458

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

L-Alanyl-L-seryl-L-leucyl-L-α-asparagyl-L-lysyl-L-phenylalanyl-L-leucyl-L-alanyl-L-seryl-L-valyl-L-seryl-L-threonyl-L-valyl-L-leucin [German] [ACD/IUPAC Name]
L-Alanyl-L-seryl-L-leucyl-L-α-aspartyl-L-lysyl-L-phenylalanyl-L-leucyl-L-alanyl-L-seryl-L-valyl-L-seryl-L-threonyl-L-valyl-L-leucine [ACD/IUPAC Name]
L-Alanyl-L-séryl-L-leucyl-L-α-aspartyl-L-lysyl-L-phénylalanyl-L-leucyl-L-alanyl-L-séryl-L-valyl-L-séryl-L-thréonyl-L-valyl-L-leucine [French] [ACD/IUPAC Name]
L-Leucine, L-alanyl-L-seryl-L-leucyl-L-α-aspartyl-L-lysyl-L-phenylalanyl-L-leucyl-L-alanyl-L-seryl-L-valyl-L-seryl-L-threonyl-L-valyl- [ACD/Index Name]
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-AMINO-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-AMINOPROPANAMIDO]-3-HYDROXYPROPANAMIDO]-4-METHYLPENTANAMIDO]-3-CARBOXYPROPANAMIDO]HEXANAMIDO]-3-PHENYLPROPANAMIDO]-4-METHYLPENTANAMIDO]PROPANAMIDO]-3-HYDROXYPROPANAMIDO]-3-METHYLBUTANAMIDO]-3-HYDROXYPROPANAMIDO]-3-HYDROXYBUTANAMIDO]-3-METHYLBUTANAMIDO]-4-METHYLPENTANOIC ACID
125379-00-2 [RN]
Hb (123-136)
Hbalpha-Chain fragments (123-136)
Hemoglobin α-chain fragments (123-136)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1756.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 294.6±3.0 kJ/mol
Flash Point: 1016.0±34.3 °C
Index of Refraction: 1.551
Molar Refractivity: 367.1±0.3 cm3
#H bond acceptors: 36
#H bond donors: 23
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 3
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -4.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 586 Å2
Polarizability: 145.5±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 1151.0±3.0 cm3

Click to predict properties on the Chemicalize site


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