ChemSpider 2D Image | (1R,2R,3S,4R,6S)-4,6-Diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[(3-ethoxy-2-hydroxybenzyl)amino]-alpha-D-glucopyranoside | C21H36N4O8

(1R,2R,3S,4R,6S)-4,6-Diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[(3-ethoxy-2-hydroxybenzyl)amino]-α-D-glucopyranoside

  • Molecular FormulaC21H36N4O8
  • Average mass472.533 Da
  • Monoisotopic mass472.253326 Da
  • ChemSpider ID128441664

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,2R,3S,4R,6S)-4,6-Diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[(3-ethoxy-2-hydroxybenzyl)amino]-α-D-glucopyranoside [ACD/IUPAC Name]
(1R,2R,3S,4R,6S)-4,6-Diamino-2,3-dihydroxycyclohexyl-2-amino-2,6-didesoxy-6-[(3-ethoxy-2-hydroxybenzyl)amino]-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Amino-2,6-didésoxy-6-[(3-éthoxy-2-hydroxybenzyl)amino]-α-D-glucopyranoside de (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[[(3-ethoxy-2-hydroxyphenyl)methyl]amino]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4517375/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 701.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.3±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 12
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -7.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 83.4±5.0 dyne/cm
Molar Volume: 326.0±5.0 cm3

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