ChemSpider 2D Image | (1R,2S,3S,4R,6S)-4,6-Diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-ribopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside | C19H39N5O7

(1R,2S,3S,4R,6S)-4,6-Diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-β-L-ribopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranoside

  • Molecular FormulaC19H39N5O7
  • Average mass449.542 Da
  • Monoisotopic mass449.284943 Da
  • ChemSpider ID23276168

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,2S,3S,4R,6S)-4,6-Diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-β-L-ribopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranoside [ACD/IUPAC Name]
(1R,2S,3S,4R,6S)-4,6-Diamino-3-{[3-desoxy-4-C-methyl-3-(methylamino)-β-L-ribopyranosyl]oxy}-2-hydroxycyclohexyl-2,6-diamino-2,3,4,6-tetradesoxy-α-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]
2,6-Diamino-2,3,4,6-tétradésoxy-α-D-érythro-hexopyranoside de (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-désoxy-4-C-méthyl-3-(méthylamino)-β-L-ribopyranosyl]oxy}-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-erythro-Hexopyranoside, (1R,2S,3S,4R,6S)-4,6-diamino-3-[[3-deoxy-4-C-methyl-3-(methylamino)-β-L-ribopyranosyl]oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy- [ACD/Index Name]
gentamicin C
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL384124/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 675.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±6.0 kJ/mol
Flash Point: 362.1±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 113.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 12
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.47
ACD/LogD (pH 5.5): -9.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 330.1±5.0 cm3

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