ChemSpider 2D Image | (1R,2S,3R,4R,5S,6R)-2,4-Bis(carbamimidoylammonio)-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylammonio)-alpha-D-glucopyranosyl]-3-C-formyl-alpha-D-lyxofuranoside | C21H42N7O12

(1R,2S,3R,4R,5S,6R)-2,4-Bis(carbamimidoylammonio)-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylammonio)-α-D-glucopyranosyl]-3-C-formyl-α-D-lyxofuranoside

  • Molecular FormulaC21H42N7O12
  • Average mass584.596 Da
  • Monoisotopic mass584.287476 Da
  • ChemSpider ID21434064

  • Charge - Charge

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1R,2S,3R,4R,5S,6R)-2,4-Bis(carbamimidoylammonio)-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylammonio)-α-D-glucopyranosyl]-3-C-formyl-α-D-lyxofuranoside [ACD/IUPAC Name]
(1R,2S,3R,4R,5S,6R)-2,4-Bis(carbamimidoylammonio)-3,5,6-trihydroxycyclohexyl-5-desoxy-2-O-[2-desoxy-2-(methylammonio)-α-D-glucopyranosyl]-3-C-formyl-α-D-lyxofuranosid [German] [ACD/IUPAC Name]
5-Désoxy-2-O-[2-désoxy-2-(méthylammonio)-α-D-glucopyranosyl]-3-C-formyl-α-D-lyxofuranoside de (1R,2S,3R,4R,5S,6R)-2,4-bis(carbamimidoylammonio)-3,5,6-trihydroxycyclohexyle [French] [ACD/IUPAC Name]
Guanidine, N,N'''-[(1R,2R,3S,4R,5R,6S)-4-[[5-deoxy-2-O-[2-deoxy-2-(methylamino)-α-D-glucopyranosyl]-3-C-formyl-α-D-lyxofuranosyl]oxy]-2,5,6-trihydroxy-1,3-cyclohexanediyl]bis-, conjugate triac id [ACD/Index Name]

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

Density:
Boiling Point: 948.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.5±6.0 kJ/mol
Flash Point: 527.3±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 19
#H bond donors: 16
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.52
ACD/LogD (pH 5.5): -7.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 344 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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