ChemSpider 2D Image | (1S,2S,3R,4S,6R)-4,6-Diamino-3-({(2R,3R,6S)-3-amino-6-[(1S)-1-(methylamino)ethyl]tetrahydro-2H-pyran-2-yl}oxy)-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-D-arabinopyranoside | C21H43N5O7

(1S,2S,3R,4S,6R)-4,6-Diamino-3-({(2R,3R,6S)-3-amino-6-[(1S)-1-(methylamino)ethyl]tetrahydro-2H-pyran-2-yl}oxy)-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-β-D-arabinopyranoside

  • Molecular FormulaC21H43N5O7
  • Average mass477.595 Da
  • Monoisotopic mass477.316254 Da
  • ChemSpider ID98608918

  • defined stereocentres - 12 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-[(1S)-1-(methylamino)ethyl]tetrahydro-2H-pyran-2-yl}oxy)-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-β-D-arabinopyranoside [ACD/IUPAC Name]
(1S,2S,3R,4S,6R)-4,6-Diamino-3-({(2R,3R,6S)-3-amino-6-[(1S)-1-(methylamino)ethyl]tetrahydro-2H-pyran-2-yl}oxy)-2-hydroxycyclohexyl-3-desoxy-4-C-methyl-3-(methylamino)-β-D-arabinopyranosid [German] [ACD/IUPAC Name]
3-Désoxy-4-C-méthyl-3-(méthylamino)-β-D-arabinopyranoside de (1S,2S,3R,4S,6R)-4,6-diamino-3-({(2R,3R,6S)-3-amino-6-[(1S)-1-(méthylamino)éthyl]tétrahydro-2H-pyran-2-yl}oxy)-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
β-L-lyxo-Heptopyranoside, (1R,2S,3S,4R,6S)-4,6-diamino-3-[[3-deoxy-4-C-methyl-3-(methylamino)-β-D-arabinopyranosyl]oxy]-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-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: 669.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 358.6±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 122.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.89
ACD/LogD (pH 5.5): -8.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.90
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: 62.8±5.0 dyne/cm
Molar Volume: 366.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement