ChemSpider 2D Image | 5-Deoxy-2-O-[(1R,2S,3R,4R,5R,6R)-2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl]-3-C-formyl-beta-D-xylofuranosyl 2-deoxy-2-(methylamino)-alpha-L-glucopyranoside | C21H39N7O12

5-Deoxy-2-O-[(1R,2S,3R,4R,5R,6R)-2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl]-3-C-formyl-β-D-xylofuranosyl 2-deoxy-2-(methylamino)-α-L-glucopyranoside

  • Molecular FormulaC21H39N7O12
  • Average mass581.574 Da
  • Monoisotopic mass581.265686 Da
  • ChemSpider ID21340953

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-Désoxy-2-(méthylamino)-α-L-glucopyranoside de 5-désoxy-2-O-[(1R,2S,3R,4R,5R,6R)-2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl]-3-C-formyl-β-D-xylofuranosyle [French] [ACD/IUPAC Name]
5-Deoxy-2-O-[(1R,2S,3R,4R,5R,6R)-2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl]-3-C-formyl-β-D-xylofuranosyl 2-deoxy-2-(methylamino)-α-L-glucopyranoside [ACD/IUPAC Name]
5-Desoxy-2-O-[(1R,2S,3R,4R,5R,6R)-2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl]-3-C-formyl-β-D-xylofuranosyl-2-desoxy-2-(methylamino)-α-L-glucopyranosid [German] [ACD/IUPAC Name]
α-L-Glucopyranoside, 2-O-[(1R,2S,3R,4R,5R,6R)-2,4-bis[(aminoiminomethyl)amino]-3,5,6-trihydroxycyclohexyl]-5-deoxy-3-C-formyl-β-D-xylofuranosyl 2-deoxy-2-(methylamino)- [ACD/Index Name]
2-[(1R,2R,3S,4R,5R,6R)-3-(diaminomethylideneamino)-4-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-3-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 872.9±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 144.1±6.0 kJ/mol
    Flash Point: 481.7±37.1 °C
    Index of Refraction: 1.762
    Molar Refractivity: 121.0±0.5 cm3
    #H bond acceptors: 19
    #H bond donors: 16
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 3
    ACD/LogP: -2.61
    ACD/LogD (pH 5.5): -8.35
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -7.20
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 331 Å2
    Polarizability: 48.0±0.5 10-24cm3
    Surface Tension: 92.7±7.0 dyne/cm
    Molar Volume: 293.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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