ChemSpider 2D Image | Valorphin | C44H60N8O12

Valorphin

  • Molecular FormulaC44H60N8O12
  • Average mass892.994 Da
  • Monoisotopic mass892.433044 Da
  • ChemSpider ID27470960

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

144313-54-2 [RN]
Acide L-valyl-L-valyl-L-tyrosyl-L-prolyl-L-tryptophyl-L-thréonyl-L-glutamique [French] [ACD/IUPAC Name]
H-Val-Val-Tyr-Pro-Trp-Thr-Gln-OH
L-Glutamic acid, L-valyl-L-valyl-L-tyrosyl-L-prolyl-L-tryptophyl-L-threonyl- [ACD/Index Name]
L-Valyl-L-valyl-L-tyrosyl-L-prolyl-L-tryptophyl-L-threonyl-L-glutamic acid [ACD/IUPAC Name]
L-Valyl-L-valyl-L-tyrosyl-L-prolyl-L-tryptophyl-L-threonyl-L-glutaminsäure [German] [ACD/IUPAC Name]
Valorphin [Wiki]
(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid
(2S)-2-{[(2S,3R)-2-{[(2S)-2-({[(2S)-1-[(2S)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl](hydroxy)meth
(2S)-2-{[(2S,3R)-2-{[(2S)-2-({[(2S)-1-[(2S)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxy-3-(1H-indol-3-yl)propylidene]a

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 1320.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 208.0±3.0 kJ/mol
    Flash Point: 752.2±34.3 °C
    Index of Refraction: 1.614
    Molar Refractivity: 231.4±0.3 cm3
    #H bond acceptors: 20
    #H bond donors: 12
    #Freely Rotating Bonds: 22
    #Rule of 5 Violations: 3
    ACD/LogP: 2.04
    ACD/LogD (pH 5.5): -2.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 323 Å2
    Polarizability: 91.7±0.5 10-24cm3
    Surface Tension: 67.1±3.0 dyne/cm
    Molar Volume: 664.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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