ChemSpider 2D Image | (1R,2S,3S,4R,6S)-6-Amino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-4-(ethylamino)-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-D-erythro-hexopyranoside | C21H43N5O7

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

  • Molecular FormulaC21H43N5O7
  • Average mass477.595 Da
  • Monoisotopic mass477.316254 Da
  • ChemSpider ID34450923

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(1R,2S,3S,4R,6S)-6-Amino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl]oxy}-4-(ethylamino)-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-D-erythro-hexopyranoside [ACD/IUPAC Name]
(1R,2S,3S,4R,6S)-6-Amino-3-{[3-desoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl]oxy}-4-(ethylamino)-2-hydroxycyclohexyl-2,6-diamino-2,3,4,6-tetradesoxy-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]
2,6-Diamino-2,3,4,6-tétradésoxy-D-érythro-hexopyranoside de (1R,2S,3S,4R,6S)-6-amino-3-{[3-désoxy-4-C-méthyl-3-(méthylamino)-β-L-arabinopyranosyl]oxy}-4-(éthylamino)-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
D-erythro-Hexopyranoside, (1R,2S,3S,4R,6S)-6-amino-3-[[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl]oxy]-4-(ethylamino)-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy- [ACD/Index Name]
[59711-96-5] [RN]
59711-96-5 [RN]
Etimicin
MFCD11042262

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.7±6.0 kJ/mol
Flash Point: 367.1±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 122.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.70
ACD/LogD (pH 5.5): -9.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 366.3±5.0 cm3

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