ChemSpider 2D Image | (1S,2R,3R,4S,6R)-4,6-Diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-alpha-D-xylopyranoside | C19H37N5O7

(1S,2R,3R,4S,6R)-4,6-Diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-α-D-xylopyranoside

  • Molecular FormulaC19H37N5O7
  • Average mass447.526 Da
  • Monoisotopic mass447.269287 Da
  • ChemSpider ID58906744

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,2R,3R,4S,6R)-4,6-Diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-α-D-xylopyranoside [ACD/IUPAC Name]
(1S,2R,3R,4S,6R)-4,6-Diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl-3-desoxy-4-C-methyl-3-(methylamino)-α-D-xylopyranosid [German] [ACD/IUPAC Name]
3-Désoxy-4-C-méthyl-3-(méthylamino)-α-D-xylopyranoside de (1S,2R,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminométhyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Xylopyranoside, (1S,2R,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 676.6±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: 363.0±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 113.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 12
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.67
ACD/LogD (pH 5.5): -9.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 322.6±5.0 cm3

Click to predict properties on the Chemicalize site


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