ChemSpider 2D Image | Doubly Functionalized Paromomycin Pm-Ii-162 | C37H65N7O16

Doubly Functionalized Paromomycin Pm-Ii-162

  • Molecular FormulaC37H65N7O16
  • Average mass863.949 Da
  • Monoisotopic mass863.448792 Da
  • ChemSpider ID20567734

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(2S)-4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2-amino-2-deoxy-α-D-glucopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-β-D-ribofuranosyl] oxy}-2-hydroxycyclohexyl]-2-hydroxybutanamide [ACD/IUPAC Name]
(2S)-4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2-amino-2-desoxy-α-D-glucopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,6-didesoxy-β-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-β-D-ribofuranosy l]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanamid [German] [ACD/IUPAC Name]
(2S)-4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2-amino-2-désoxy-α-D-glucopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,6-didésoxy-β-L-idopyranosyl)-2-O-{2-[(2-phényléthyl)amino]éthyl}-β-D-ribofuranosy l]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanamide [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2-amino-2-deoxy-α-D-glucopyranosyl)oxy]-3-[[3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-2-O-[2-[(2-phenylethyl)amino]ethyl]-β-D-ribofur anosyl]oxy]-2-hydroxycyclohexyl]-2-hydroxy-, (2S)- [ACD/Index Name]
Doubly Functionalized Paromomycin Pm-Ii-162
LHA

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1121.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 173.0±3.0 kJ/mol
Flash Point: 632.2±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 211.7±0.4 cm3
#H bond acceptors: 23
#H bond donors: 20
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -1.94
ACD/LogD (pH 5.5): -11.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 398 Å2
Polarizability: 83.9±0.5 10-24cm3
Surface Tension: 89.3±5.0 dyne/cm
Molar Volume: 577.8±5.0 cm3

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