ChemSpider 2D Image | (2R,3S,4R,5R,6R)-2-{[(2S,3R,4R,5R,6R)-2-[(1R)-2-[({6-Amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methyl-4-pyrimidinyl}carbonyl)amino]-3-{[(2R,3S,4S)-5-{[(2S,3R)-1-({2- [4-({3-[(4-aminobutyl)amino]propyl}carbamoyl)-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}-3-hydroxy-4-methyl-5-oxo-2-pentanyl]amino}-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5- dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyr | C57H89N19O21S2

(2R,3S,4R,5R,6R)-2-{[(2S,3R,4R,5R,6R)-2-[(1R)-2-[({6-Amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methyl-4-pyrimidinyl}carbonyl)amino]-3-{[(2R,3S,4S)-5-{[(2S,3R)-1-({2- [4-({3-[(4-aminobutyl)amino]propyl}carbamoyl)-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}-3-hydroxy-4-methyl-5-oxo-2-pentanyl]amino}-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5- dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyr

  • Molecular FormulaC57H89N19O21S2
  • Average mass1440.561 Da
  • Monoisotopic mass1439.592163 Da
  • ChemSpider ID17465359

  • defined stereocentres - 18 of 19 defined stereocentres

More details:

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

(2R,3S,4R,5R,6R)-2-{[(2S,3R,4R,5R,6R)-2-[(1R)-2-[({6-Amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methyl-4-pyrimidinyl}carbonyl)amino]-3-{[(2R,3S,4S)-5-{[(2S,3R)-1-({2- [4-({3-[(4-aminobutyl)amino]propyl}carbamoyl)-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}-3-hydroxy-4-methyl-5-oxo-2-pentanyl]amino}-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5- dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyr [ACD/IUPAC Name]
(2R,3S,4R,5R,6R)-2-{[(2S,3R,4R,5R,6R)-2-[(1R)-2-[({6-Amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methyl-4-pyrimidinyl}carbonyl)amino]-3-{[(2R,3S,4S)-5-{[(2S,3R)-1-({2- [4-({3-[(4-aminobutyl)amino]propyl}carbamoyl)-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}-3-hydroxy-4-methyl-5-oxo-2-pentanyl]amino}-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5- dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyr [German] [ACD/IUPAC Name]
Carbamate de (2R,3S,4R,5R,6R)-2-{[(2S,3R,4R,5R,6R)-2-[(1R)-2-[({6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-méthyl-4-pyrimidinyl}carbonyl)amino]-3-{[(2R,3S,4S)-5-{[( 2S,3R)-1-({2-[4-({3-[(4-aminobutyl)amino]propyl}carbamoyl)-2,4'-bi-1,3-thiazol-2'-yl]éthyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}-3-hydroxy-4-méthyl-5-oxo-2-pentanyl]amino}-1-(1H-imidazol-5-yl)-3-oxo propoxy]-4,5-dihydroxy-6-(hydroxyméthyl)tétr [French] [ACD/IUPAC Name]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.681
    Molar Refractivity: 348.5±0.4 cm3
    #H bond acceptors: 40
    #H bond donors: 28
    #Freely Rotating Bonds: 40
    #Rule of 5 Violations: 3
    ACD/LogP: -2.35
    ACD/LogD (pH 5.5): -9.65
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -8.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 722 Å2
    Polarizability: 138.2±0.5 10-24cm3
    Surface Tension: 104.6±5.0 dyne/cm
    Molar Volume: 921.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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