ChemSpider 2D Image | (1S,2R,3S,4R,6S)-4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-L-idopyranosyl)-beta-L-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside | C23H45N5O14

(1S,2R,3S,4R,6S)-4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-α-L-idopyranosyl)-β-L-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-α-D-glucopyranoside

  • Molecular FormulaC23H45N5O14
  • Average mass615.628 Da
  • Monoisotopic mass615.296326 Da
  • ChemSpider ID21344134

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(1S,2R,3S,4R,6S)-4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-α-L-idopyranosyl)-β-L-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1S,2R,3S,4R,6S)-4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-didesoxy-α-L-idopyranosyl)-β-L-ribofuranosyl]oxy}-3-hydroxycyclohexyl-2-amino-2-desoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Amino-2-désoxy-α-D-glucopyranoside de (1S,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-didésoxy-α-L-idopyranosyl)-β-L-ribofuranosyl]oxy}-3-hydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1S,2R,3S,4R,6S)-4,6-diamino-2-[[3-O-(2,6-diamino-2,6-dideoxy-α-L-idopyranosyl)-β-L-ribofuranosyl]oxy]-3-hydroxycyclohexyl 2-amino-2-deoxy- [ACD/Index Name]
(2R,3S,4R,5R,6S)-5-AMINO-6-[(1S,2R,3S,4R,6S)-4,6-DIAMINO-2-[(2R,3S,4R,5S)-4-[(2S,3R,4R,5S,6S)-3-AMINO-6-(AMINOMETHYL)-4,5-DIHYDROXYOXAN-2-YL]OXY-3-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]OXY-3-HYDROXYCYCLOHEXYL]OXY-2-(HYDROXYMETHYL)OXANE-3,4-DIOL
(2S,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-6-[(2S,3R,4S,5R)-5-[(1R,2S,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 939.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 155.1±6.0 kJ/mol
    Flash Point: 522.2±34.3 °C
    Index of Refraction: 1.676
    Molar Refractivity: 140.8±0.4 cm3
    #H bond acceptors: 19
    #H bond donors: 18
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 3
    ACD/LogP: -3.27
    ACD/LogD (pH 5.5): -11.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -9.85
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 347 Å2
    Polarizability: 55.8±0.5 10-24cm3
    Surface Tension: 106.4±5.0 dyne/cm
    Molar Volume: 374.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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