ChemSpider 2D Image | (2S,6S)-4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-L-threo-hexopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-erythro-hexopyranoside | C23H46N6O13

(2S,6S)-4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-α-L-threo-hexopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-erythro-hexopyranoside

  • Molecular FormulaC23H46N6O13
  • Average mass614.644 Da
  • Monoisotopic mass614.312256 Da
  • ChemSpider ID22886543

  • defined stereocentres - 14 of 19 defined stereocentres

More details:

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

(2S,6S)-4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-α-L-threo-hexopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-erythro-hexopyranoside [ACD/IUPAC Name]
(2S,6S)-4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-didesoxy-α-L-threo-hexopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl-2,6-diamino-2,6-didesoxy-α-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]
2,6-Diamino-2,6-didésoxy-α-D-érythro-hexopyranoside de (2S,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-didésoxy-α-L-thréo-hexopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-erythro-Hexopyranoside, (2S,6S)-4,6-diamino-2-[[3-O-(2,6-diamino-2,6-dideoxy-α-L-threo-hexopyranosyl)-β-D-ribofuranosyl]oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy- [ACD/Index Name]
(2S,3S,4R,5R)-5-amino-2-(aminomethyl)-6-(((2R,3S,4R,5S)-5-(((1S,2R,3S,5R,6S)-3,5-diamino-2-(((2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6-hydroxycyclohexyl)oxy

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

Density: 1.6±0.1 g/cm3
Boiling Point: 927.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.0±6.0 kJ/mol
Flash Point: 514.5±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 142.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 19
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.65
ACD/LogD (pH 5.5): -12.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 353 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 380.4±5.0 cm3

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