ChemSpider 2D Image | (1R,2S,3S,4R,6S)-4,6-Diamino-3-[(6-amino-6-deoxy-alpha-L-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-{[(2R)-4-amino-2-hydroxybutanoyl]amino}-3-deoxy-alpha-D-glucopyranoside | C22H43N5O13

(1R,2S,3S,4R,6S)-4,6-Diamino-3-[(6-amino-6-deoxy-α-L-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-{[(2R)-4-amino-2-hydroxybutanoyl]amino}-3-deoxy-α-D-glucopyranoside

  • Molecular FormulaC22H43N5O13
  • Average mass585.602 Da
  • Monoisotopic mass585.285706 Da
  • ChemSpider ID8636364

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(1R,2S,3S,4R,6S)-4,6-Diamino-3-[(6-amino-6-deoxy-α-L-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-{[(2R)-4-amino-2-hydroxybutanoyl]amino}-3-deoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1R,2S,3S,4R,6S)-4,6-Diamino-3-[(6-amino-6-desoxy-α-L-glucopyranosyl)oxy]-2-hydroxycyclohexyl-3-{[(2R)-4-amino-2-hydroxybutanoyl]amino}-3-desoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
3-{[(2R)-4-Amino-2-hydroxybutanoyl]amino}-3-désoxy-α-D-glucopyranoside de (1R,2S,3S,4R,6S)-4,6-diamino-3-[(6-amino-6-désoxy-α-L-glucopyranosyl)oxy]-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1R,2S,3S,4R,6S)-4,6-diamino-3-[(6-amino-6-deoxy-α-L-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-[[(2R)-4-amino-2-hydroxy-1-oxobutyl]amino]-3-deoxy- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 981.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.2±6.0 kJ/mol
Flash Point: 547.6±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 18
#H bond donors: 17
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.37
ACD/LogD (pH 5.5): -10.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 332 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 103.3±5.0 dyne/cm
Molar Volume: 363.9±5.0 cm3

Click to predict properties on the Chemicalize site


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