ChemSpider 2D Image | 4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxyhexopyranoside | C23H46N6O13

4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxyhexopyranoside

  • Molecular FormulaC23H46N6O13
  • Average mass614.644 Da
  • Monoisotopic mass614.312256 Da
  • ChemSpider ID4299

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

2,6-Diamino-2,6-didésoxyhexopyranoside de 4,6-diamino-2-{[3-O-(2,6-diamino-2,6-didésoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyle [French] [ACD/IUPAC Name]
4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxyhexopyranoside [ACD/IUPAC Name]
4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-didesoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyl-2,6-diamino-2,6-didesoxyhexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside, 4,6-diamino-2-[[3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)pentofuranosyl]oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy- [ACD/Index Name]
(3S,4R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,4R,5S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
119-04-0 [RN]
1404-04-2 [RN]
1405-10-3 [RN]
5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-6-hydroxy-cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-oxane-3,4-diol
5-amino-6-{4,6-diamino-2-[4-(3-amino-6-aminomethyl-4,5-dihydroxytetrahydro-2H-2-pyranyloxy)-3-hydroxy-5-hydroxymethyltetrahydro-2-furanyloxy]-3-hydroxycyclohexyloxy}-2-ethyltetrahydro-2H-3,4-pyrandiol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C01737 [DBID]
D05140 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 927.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 153.0±6.0 kJ/mol
    Flash Point: 514.5±34.3 °C
    Index of Refraction: 1.675
    Molar Refractivity: 142.9±0.4 cm3
    #H bond acceptors: 19
    #H bond donors: 19
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 3
    ACD/LogP: -3.65
    ACD/LogD (pH 5.5): -12.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -11.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 353 Å2
    Polarizability: 56.6±0.5 10-24cm3
    Surface Tension: 103.9±5.0 dyne/cm
    Molar Volume: 380.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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