ChemSpider 2D Image | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside | C33H58N6O14

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

  • Molecular FormulaC33H58N6O14
  • Average mass762.845 Da
  • Monoisotopic mass762.401123 Da
  • ChemSpider ID17281380

  • defined stereocentres - 19 of 19 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-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-α-D-glucopyrano side [ACD/IUPAC Name]
(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-α-D-glucopyranoside
(1R,2R,3S,4R,6S)-4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-didesoxy-β-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl-2-amino-2-desoxy-α-D-glucopyra nosid [German] [ACD/IUPAC Name]
2-Amino-2-désoxy-α-D-glucopyranoside de (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-didésoxy-β-L-idopyranosyl)-2-O-{2-[(2-phényléthyl)amino]éthyl}-β-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1R,2R,3S,4R,6S)-4,6-diamino-2-[[3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-2-O-[2-[(2-phenylethyl)amino]ethyl]-β-D-ribofuranosyl]oxy]-3-hydroxycyclohexyl 2-amino-2- deoxy- [ACD/Index Name]
α-D-glucopyranoside, (1R,2R,3S,4R,6S)-4,6-diamino-2-[[3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-2-O-[2-[(2-phenylethyl)amino]ethyl]-β-D-ribofuranosyl]oxy]-3-hydroxycyclohexyl 2-amino-2-deoxy-
(2R,3S,4R,5R,6S)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4R,5R)-4-{[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-(hydroxymethyl)-3-{2-[(2-phenylethyl)amino]ethoxy}oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)oxane-3,4-diol
(2R,3S,4R,5R,6S)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4R,5R)-4-{[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-(hydroxymethyl)-3-{2-[(2-phenylethyl)amino]ethoxy}oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)oxane-3,4-diolNA
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL389421/
JS6

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

Density: 1.5±0.1 g/cm3
Boiling Point: 983.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.2±3.0 kJ/mol
Flash Point: 548.6±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 187.9±0.4 cm3
#H bond acceptors: 20
#H bond donors: 18
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -10.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 348 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 87.7±5.0 dyne/cm
Molar Volume: 512.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement