Found 2 results

Search term: KMBWOVXKKMSFQR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-(3-Sulfopropyl)-L-isoleucine | C9H19NO5S

N-(3-Sulfopropyl)-L-isoleucine

  • Molecular FormulaC9H19NO5S
  • Average mass253.316 Da
  • Monoisotopic mass253.098389 Da
  • ChemSpider ID57557291

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-ISOLEUCINE, N-(3-SULFOPROPYL)- [ACD/Index Name]
N-(3-Sulfopropyl)-L-isoleucin [German] [ACD/IUPAC Name]
N-(3-Sulfopropyl)-L-isoleucine [ACD/IUPAC Name]
N-(3-Sulfopropyl)-L-isoleucine [French] [ACD/IUPAC Name]
(2S,3S)-3-Methyl-2-((3-sulfopropyl)amino)pentanoic acid
819863-71-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.506
Molar Refractivity: 59.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -4.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 199.8±3.0 cm3

Click to predict properties on the Chemicalize site


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