ChemSpider 2D Image | (1S,2S,3R,4S,6R)-4,6-Diamino-3-[(2,6-diamino-2,3,6-trideoxy-beta-D-ribo-hexopyranosyl)oxy]-2-hydroxycyclohexyl (2xi)-3-amino-3-deoxy-alpha-D-arabino-hexopyranoside | C18H37N5O9

(1S,2S,3R,4S,6R)-4,6-Diamino-3-[(2,6-diamino-2,3,6-trideoxy-β-D-ribo-hexopyranosyl)oxy]-2-hydroxycyclohexyl (2ξ)-3-amino-3-deoxy-α-D-arabino-hexopyranoside

  • Molecular FormulaC18H37N5O9
  • Average mass467.514 Da
  • Monoisotopic mass467.259125 Da
  • ChemSpider ID64973329
  • defined stereocentres - 13 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-[(2,6-diamino-2,3,6-trideoxy-β-D-ribo-hexopyranosyl)oxy]-2-hydroxycyclohexyl (2ξ)-3-amino-3-deoxy-α-D-arabino-hexopyranoside [ACD/IUPAC Name]
(1S,2S,3R,4S,6R)-4,6-Diamino-3-[(2,6-diamino-2,3,6-tridesoxy-β-D-ribo-hexopyranosyl)oxy]-2-hydroxycyclohexyl-(2ξ)-3-amino-3-desoxy-α-D-arabino-hexopyranosid [German] [ACD/IUPAC Name]
(2ξ)-3-Amino-3-désoxy-α-D-arabino-hexopyranoside de (1S,2S,3R,4S,6R)-4,6-diamino-3-[(2,6-diamino-2,3,6-tridésoxy-β-D-ribo-hexopyranosyl)oxy]-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-arabino-Hexopyranoside, (1S,2S,3R,4S,6R)-4,6-diamino-3-[(2,6-diamino-2,3,6-trideoxy-β-D-ribo-hexopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-, (2ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 775.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.7±6.0 kJ/mol
Flash Point: 422.8±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 111.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 15
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.41
ACD/LogD (pH 5.5): -10.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 92.7±5.0 dyne/cm
Molar Volume: 305.9±5.0 cm3

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