ChemSpider 2D Image | isepamicin | C22H43N5O12

isepamicin

  • Molecular FormulaC22H43N5O12
  • Average mass569.603 Da
  • Monoisotopic mass569.290833 Da
  • ChemSpider ID2301019
  • defined stereocentres - 15 of 15 defined stereocentres


More details:






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

(2S)-3-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(6-amino-6-deoxy-α-D-glucopyranosyl)oxy]-2-{[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxypropanamide [ACD/IUPAC Name]
(2S)-3-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(6-amino-6-desoxy-α-D-glucopyranosyl)oxy]-2-{[3-desoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxypropanamid [German] [ACD/IUPAC Name]
(2S)-3-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(6-amino-6-désoxy-α-D-glucopyranosyl)oxy]-2-{[3-désoxy-4-C-méthyl-3-(méthylamino)-β-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxypropanamide [French] [ACD/IUPAC Name]
261-143-4 [EINECS]
58152-03-7 [RN]
5849
G7K224460P
HAPA-B
isepamicina [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

D02545 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 926.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.0±6.0 kJ/mol
Flash Point: 514.3±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 17
#H bond donors: 15
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.45
ACD/LogD (pH 5.5): -9.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 298 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 90.9±5.0 dyne/cm
Molar Volume: 369.9±5.0 cm3

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