ChemSpider 2D Image | GENTAMICIN C2A | C20H41N5O7

GENTAMICIN C2A

  • Molecular FormulaC20H41N5O7
  • Average mass463.569 Da
  • Monoisotopic mass463.300598 Da
  • ChemSpider ID26354731

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1S,2S,3R,4S,6R)-4,6-Diamino-3-{[(2R,3R,6S)-3-amino-6-(1-aminoethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranoside [ACD/IUPAC Name]
(1S,2S,3R,4S,6R)-4,6-Diamino-3-{[(2R,3R,6S)-3-amino-6-(1-aminoethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl-3-desoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosid [German] [ACD/IUPAC Name]
3-Désoxy-4-C-méthyl-3-(méthylamino)-β-L-arabinopyranoside de (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3R,6S)-3-amino-6-(1-aminoéthyl)tétrahydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
59751-72-3 [RN]
GENTAMICIN C2A
α-D-erythro-Heptopyranoside, (1R,2S,3S,4R,6S)-4,6-diamino-3-[[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl]oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6,7-pentadeoxy- [ACD/Index Name]
(1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-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 2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranoside [ACD/IUPAC Name]
(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R,3R,6S)-3-amino-6-(aminomethyl)-tetrahydro-2H-pyran-2-yloxy)-2-hydroxycyclohexyloxy)-5-methyl-4-(methylamino)-tetrahydro-2H-pyran-3,5-diol
(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-methylaminooxane-3,5-diol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

WD54726063 [DBID]
AIDS005090 [DBID]
AIDS-005090 [DBID]
AIDS009265 [DBID]
AIDS-009265 [DBID]
AIDS009856 [DBID]
AIDS-009856 [DBID]
AIDS032289 [DBID]
AIDS-032289 [DBID]
BRN 1356351 [DBID]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 676.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±6.0 kJ/mol
Flash Point: 362.8±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 118.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 12
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.12
ACD/LogD (pH 5.5): -9.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 346.8±5.0 cm3

Click to predict properties on the Chemicalize site


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