ChemSpider 2D Image | (1S,2R,3R,4S,6R)-4,6-Diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-D-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-L-erythro-hexopyranoside | C20H41N5O7

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

  • Molecular FormulaC20H41N5O7
  • Average mass463.569 Da
  • Monoisotopic mass463.300598 Da
  • ChemSpider ID128922333

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 667.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±6.0 kJ/mol
Flash Point: 357.3±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 118.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.23
ACD/LogD (pH 5.5): -9.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 350.2±5.0 cm3

Click to predict properties on the Chemicalize site


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