ChemSpider 2D Image | 2''-O-[N-(3-(aminopropyl)2-aminoethyl]paromomycin | C28H57N7O14

2''-O-[N-(3-(aminopropyl)2-aminoethyl]paromomycin

  • Molecular FormulaC28H57N7O14
  • Average mass715.791 Da
  • Monoisotopic mass715.396362 Da
  • ChemSpider ID17591776

  • 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-{[2-O-{2-[(3-aminopropyl)amino]ethyl}-3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-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-{[2-O-{2-[(3-aminopropyl)amino]ethyl}-3-O-(2,6-diamino-2,6-didesoxy-β-L-idopyranosyl)-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-{[2-O-{2-[(3-aminopropyl)amino]éthyl}-3-O-(2,6-diamino-2,6-didésoxy-β-L-idopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyle [French] [ACD/IUPAC Name]
2''-O-[N-(3-(aminopropyl)2-aminoethyl]paromomycin
α-D-Glucopyranoside, (1R,2R,3S,4R,6S)-4,6-diamino-2-[[2-O-[2-[(3-aminopropyl)amino]ethyl]-3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-β-D-ribofuranosyl]oxy]-3-hydroxycyclohexyl 2-amino-2- deoxy- [ACD/Index Name]
(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}-3-{2-[(3-aminopropyl)amino]ethoxy}-5-(hydroxymethyl
(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3R,4R,5S)-4-{2-[(3-aminopropyl)amino]ethoxy}-5-{[(1R,2R,3S,5R,6S)-3,5-diamino-2-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)oxolan-3-yl]oxy}oxane-3,4-diol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 965.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.4±6.0 kJ/mol
Flash Point: 537.7±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 171.4±0.4 cm3
#H bond acceptors: 21
#H bond donors: 20
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -3.54
ACD/LogD (pH 5.5): -13.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 374 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 91.0±5.0 dyne/cm
Molar Volume: 473.7±5.0 cm3

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