ChemSpider 2D Image | (1R,2S,3R,4R,6R)-4,6-Diamino-3-[(2,6-diamino-2,6-dideoxy-beta-L-gulopyranosyl)oxy]-2-hydroxycyclohexyl alpha-D-gulopyranoside | C18H36N4O11

(1R,2S,3R,4R,6R)-4,6-Diamino-3-[(2,6-diamino-2,6-dideoxy-β-L-gulopyranosyl)oxy]-2-hydroxycyclohexyl α-D-gulopyranoside

  • Molecular FormulaC18H36N4O11
  • Average mass484.499 Da
  • Monoisotopic mass484.238068 Da
  • ChemSpider ID29409191

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1R,2S,3R,4R,6R)-4,6-Diamino-3-[(2,6-diamino-2,6-dideoxy-β-L-gulopyranosyl)oxy]-2-hydroxycyclohexyl α-D-gulopyranoside [ACD/IUPAC Name]
(1R,2S,3R,4R,6R)-4,6-Diamino-3-[(2,6-diamino-2,6-didesoxy-β-L-gulopyranosyl)oxy]-2-hydroxycyclohexyl-α-D-gulopyranosid [German] [ACD/IUPAC Name]
α-D-Gulopyranoside de (1R,2S,3R,4R,6R)-4,6-diamino-3-[(2,6-diamino-2,6-didésoxy-β-L-gulopyranosyl)oxy]-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Gulopyranoside, (1R,2S,3R,4R,6R)-4,6-diamino-3-[(2,6-diamino-2,6-dideoxy-β-L-gulopyranosyl)oxy]-2-hydroxycyclohexyl [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: 793.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.4±6.0 kJ/mol
Flash Point: 433.4±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 111.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 15
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.98
ACD/LogD (pH 5.5): -11.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 104.5±5.0 dyne/cm
Molar Volume: 297.6±5.0 cm3

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