ChemSpider 2D Image | (1S,2R,3R,4S,6S)-4,6-Diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-alpha-L-xylopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-5-[(1R)-1-hydroxyethyl]-beta-D-xylopyranoside | C20H40N4O10

(1S,2R,3R,4S,6S)-4,6-Diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-α-L-xylopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-5-[(1R)-1-hydroxyethyl]-β-D-xylopyranoside

  • Molecular FormulaC20H40N4O10
  • Average mass496.552 Da
  • Monoisotopic mass496.274445 Da
  • ChemSpider ID78520678

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

(1S,2R,3R,4S,6S)-4,6-Diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-α-L-xylopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-5-[(1R)-1-hydroxyethyl]-β-D-xylopyranoside [ACD/IUPAC Name]
(1S,2R,3R,4S,6S)-4,6-Diamino-3-{[3-desoxy-4-C-methyl-3-(methylamino)-α-L-xylopyranosyl]oxy}-2-hydroxycyclohexyl-2-amino-2-desoxy-5-[(1R)-1-hydroxyethyl]-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2-Amino-2-désoxy-5-[(1R)-1-hydroxyéthyl]-β-D-xylopyranoside de (1S,2R,3R,4S,6S)-4,6-diamino-3-{[3-désoxy-4-C-méthyl-3-(méthylamino)-α-L-xylopyranosyl]oxy}-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
β-D-gluco-Heptopyranoside, (1S,2R,3R,4S,6S)-4,6-diamino-3-[[3-deoxy-4-C-methyl-3-(methylamino)-α-L-xylopyranosyl]oxy]-2-hydroxycyclohexyl 2-amino-2,7-dideoxy-, (5ξ)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 760.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.3±6.0 kJ/mol
Flash Point: 413.6±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 13
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -8.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 248 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 81.8±5.0 dyne/cm
Molar Volume: 336.3±5.0 cm3

Click to predict properties on the Chemicalize site


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