ChemSpider 2D Image | (1R,2S,3S,4R,6S)-4,6-Diammonio-3-{[3-deoxy-4-C-methyl-3-(methylammonio)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-acetamido-6-ammonio-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside | C21H45N5O8

(1R,2S,3S,4R,6S)-4,6-Diammonio-3-{[3-deoxy-4-C-methyl-3-(methylammonio)-β-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-acetamido-6-ammonio-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranoside

  • Molecular FormulaC21H45N5O8
  • Average mass495.608 Da
  • Monoisotopic mass495.324615 Da
  • ChemSpider ID26331237

  • Charge - Charge

    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-Diammonio-3-{[3-deoxy-4-C-methyl-3-(methylammonio)-β-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-acetamido-6-ammonio-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranoside [ACD/IUPAC Name]
(1R,2S,3S,4R,6S)-4,6-Diammonio-3-{[3-desoxy-4-C-methyl-3-(methylammonio)-β-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl-2-acetamido-6-ammonio-2,3,4,6-tetradesoxy-α-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]
2-Acétamido-6-ammonio-2,3,4,6-tétradésoxy-α-D-érythro-hexopyranoside de (1R,2S,3S,4R,6S)-4,6-diammonio-3-{[3-désoxy-4-C-méthyl-3-(méthylammonio)-β-L-arabinopyranosyl]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-arabinopyranosyl]oxy]-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-, conjug ate tetraacid [ACD/Index Name]
(1R,2S,3S,4R,6S)-4,6-diammonio-3-[3-deoxy-4-C-methyl-3-(methylammonio)-β-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2-acetamido-6-ammmonio-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranoside
N(2')-acetylgentamicin C1a
N(2')-acetylgentamycin C1a(4+)

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

Density:
Boiling Point: 763.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.8±6.0 kJ/mol
Flash Point: 415.5±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.85
ACD/LogD (pH 5.5): -8.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 226 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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