ChemSpider 2D Image | (2R,3S,5R,6S)-3,5-Diamino-2,6-dihydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranosyl-(1->4)-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1->3)-alpha-L-lyxofuranoside | C23H45N5O14

(2R,3S,5R,6S)-3,5-Diamino-2,6-dihydroxycyclohexyl 2-amino-2-deoxy-α-D-glucopyranosyl-(1->4)-2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl-(1->3)-α-L-lyxofuranoside

  • Molecular FormulaC23H45N5O14
  • Average mass615.628 Da
  • Monoisotopic mass615.296326 Da
  • ChemSpider ID8027666

  • defined stereocentres - 18 of 19 defined stereocentres

More details:

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

(2R,3S,5R,6S)-3,5-Diamino-2,6-dihydroxycyclohexyl 2-amino-2-deoxy-α-D-glucopyranosyl-(1->4)-2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl-(1->3)-α-L-lyxofuranoside [ACD/IUPAC Name]
(2R,3S,5R,6S)-3,5-Diamino-2,6-dihydroxycyclohexyl-2-amino-2-desoxy-α-D-glucopyranosyl-(1->4)-2,6-diamino-2,6-didesoxy-α-D-glucopyranosyl-(1->3)-α-L-lyxofuranosid [German] [ACD/IUPAC Name]
2-Amino-2-désoxy-α-D-glucopyranosyl-(1->4)-2,6-diamino-2,6-didésoxy-α-D-glucopyranosyl-(1->3)-α-L-lyxofuranoside de (2R,3S,5R,6S)-3,5-diamino-2,6-dihydroxycyclohexyle [French] [ACD/IUPAC Name]
α-L-Lyxofuranoside, (2R,3S,5R,6S)-3,5-diamino-2,6-dihydroxycyclohexyl O-2-amino-2-deoxy-α-D-glucopyranosyl-(1->4)-O-2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl-(1->3)- [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: 956.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 157.9±6.0 kJ/mol
Flash Point: 532.3±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 18
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.46
ACD/LogD (pH 5.5): -11.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 347 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 106.4±5.0 dyne/cm
Molar Volume: 374.1±5.0 cm3

Click to predict properties on the Chemicalize site


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