ChemSpider 2D Image | (1R,2R,3R,4R,6R)-4,6-Diamino-2-[(6-amino-6-deoxy-beta-D-mannopyranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-beta-L-gulopyranoside | C18H37N5O10

(1R,2R,3R,4R,6R)-4,6-Diamino-2-[(6-amino-6-deoxy-β-D-mannopyranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-β-L-gulopyranoside

  • Molecular FormulaC18H37N5O10
  • Average mass483.514 Da
  • Monoisotopic mass483.254028 Da
  • ChemSpider ID30841459

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1R,2R,3R,4R,6R)-4,6-Diamino-2-[(6-amino-6-deoxy-β-D-mannopyranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-β-L-gulopyranoside [ACD/IUPAC Name]
(1R,2R,3R,4R,6R)-4,6-Diamino-2-[(6-amino-6-desoxy-β-D-mannopyranosyl)oxy]-3-hydroxycyclohexyl-2,6-diamino-2,6-didesoxy-β-L-gulopyranosid [German] [ACD/IUPAC Name]
2,6-Diamino-2,6-didésoxy-β-L-gulopyranoside de (1R,2R,3R,4R,6R)-4,6-diamino-2-[(6-amino-6-désoxy-β-D-mannopyranosyl)oxy]-3-hydroxycyclohexyle [French] [ACD/IUPAC Name]
β-L-Gulopyranoside, (1R,2R,3R,4R,6R)-4,6-diamino-2-[(6-amino-6-deoxy-β-D-mannopyranosyl)oxy]-3-hydroxycyclohexyl 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: 779.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.3±6.0 kJ/mol
Flash Point: 425.1±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 16
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.94
ACD/LogD (pH 5.5): -10.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 101.5±5.0 dyne/cm
Molar Volume: 303.8±5.0 cm3

Click to predict properties on the Chemicalize site


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