ChemSpider 2D Image | (1S,2S,3R,4S,6R)-4,6-Diamino-3-hydroxy-2-(beta-L-xylofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-alpha-L-glucopyranoside | C17H34N4O10

(1S,2S,3R,4S,6R)-4,6-Diamino-3-hydroxy-2-(β-L-xylofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-α-L-glucopyranoside

  • Molecular FormulaC17H34N4O10
  • Average mass454.473 Da
  • Monoisotopic mass454.227478 Da
  • ChemSpider ID78474516

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1S,2S,3R,4S,6R)-4,6-Diamino-3-hydroxy-2-(β-L-xylofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-α-L-glucopyranoside [ACD/IUPAC Name]
(1S,2S,3R,4S,6R)-4,6-Diamino-3-hydroxy-2-(β-L-xylofuranosyloxy)cyclohexyl-2,6-diamino-2,6-didesoxy-α-L-glucopyranosid [German] [ACD/IUPAC Name]
2,6-Diamino-2,6-didésoxy-α-L-glucopyranoside de (1S,2S,3R,4S,6R)-4,6-diamino-3-hydroxy-2-(β-L-xylofuranosyloxy)cyclohexyle [French] [ACD/IUPAC Name]
α-L-Glucopyranoside, (1S,2S,3R,4S,6R)-4,6-diamino-3-hydroxy-2-(β-L-xylofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 769.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 127.8±6.0 kJ/mol
Flash Point: 419.4±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 14
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.43
ACD/LogD (pH 5.5): -9.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 262 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 99.8±5.0 dyne/cm
Molar Volume: 283.6±5.0 cm3

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