ChemSpider 2D Image | Dihexa | C27H44N4O5

Dihexa

  • Molecular FormulaC27H44N4O5
  • Average mass504.662 Da
  • Monoisotopic mass504.331177 Da
  • ChemSpider ID57582587

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1401708-83-5 [RN]
6-[(2S,3S)-2-[(2S)-2-hexanamido-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]hexanamide
9WYX65A5C2
Dihexa [Wiki]
L-Isoleucinamide, N-(1-oxohexyl)-L-tyrosyl-N-(6-amino-6-oxohexyl)- [ACD/Index Name]
N-(1-oxohexyl)-L-tyrosyl-N-(6-amino-6-oxohexyl)-L-isoleucinamide
N-Hexanoyl-L-tyrosyl-N-(6-amino-6-oxohexyl)-L-isoleucinamid [German] [ACD/IUPAC Name]
N-Hexanoyl-L-tyrosyl-N-(6-amino-6-oxohexyl)-L-isoleucinamide [ACD/IUPAC Name]
N-Hexanoyl-L-tyrosyl-N-(6-amino-6-oxohexyl)-L-isoleucinamide [French] [ACD/IUPAC Name]
(2S,3S)-N-(6-amino-6-oxohexyl)-2-[[(2S)-2-(hexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 866.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 130.2±3.0 kJ/mol
    Flash Point: 477.6±34.3 °C
    Index of Refraction: 1.529
    Molar Refractivity: 140.0±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 6
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 2
    ACD/LogP: 2.78
    ACD/LogD (pH 5.5): 2.73
    ACD/BCF (pH 5.5): 70.49
    ACD/KOC (pH 5.5): 731.47
    ACD/LogD (pH 7.4): 2.73
    ACD/BCF (pH 7.4): 70.23
    ACD/KOC (pH 7.4): 728.80
    Polar Surface Area: 151 Å2
    Polarizability: 55.5±0.5 10-24cm3
    Surface Tension: 45.6±3.0 dyne/cm
    Molar Volume: 454.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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