ChemSpider 2D Image | (2R,3S,4R,6S,7R)-7-Amino-6-{[(1R,2R,3R,4R,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl 4-amino-4-deoxy-alpha-D-mannopyranoside | C21H41N5O11

(2R,3S,4R,6S,7R)-7-Amino-6-{[(1R,2R,3R,4R,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl 4-amino-4-deoxy-α-D-mannopyranoside

  • Molecular FormulaC21H41N5O11
  • Average mass539.577 Da
  • Monoisotopic mass539.280273 Da
  • ChemSpider ID17461362

  • defined stereocentres - 15 of 17 defined stereocentres

More details:

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

(2R,3S,4R,6S,7R)-7-Amino-6-{[(1R,2R,3R,4R,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl 4-amino-4-deoxy-α-D-mannopyranoside [ACD/IUPAC Name]
(2R,3S,4R,6S,7R)-7-Amino-6-{[(1R,2R,3R,4R,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl-4-amino-4-desoxy-α-D-mannopyranosid [German] [ACD/IUPAC Name]
4-Amino-4-désoxy-α-D-mannopyranoside de (2R,3S,4R,6S,7R)-7-amino-6-{[(1R,2R,3R,4R,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(méthylamino)octahydropyrano[3,2-b]pyran-2-yle [French] [ACD/IUPAC Name]
(2R,3S,4S,5S,6S)-5-amino-2-[[(2R,3S,4R,6S,7R)-7-amino-6-[(1R,2R,3R,4R,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4-diol
1192350-04-1 [RN]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 823.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 136.1±6.0 kJ/mol
    Flash Point: 451.6±34.3 °C
    Index of Refraction: 1.658
    Molar Refractivity: 126.8±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 15
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: -2.45
    ACD/LogD (pH 5.5): -10.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -7.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 284 Å2
    Polarizability: 50.3±0.5 10-24cm3
    Surface Tension: 93.0±5.0 dyne/cm
    Molar Volume: 344.4±5.0 cm3

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