ChemSpider 2D Image | (2S,3R)-4,6-Diamino-2-({(2xi)-3-O-[(1S)-2,6-diamino-2,6-dideoxyhexopyranosyl]-D-erythro-pentofuranosyl}oxy)-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxyhexopyranoside | C23H46N6O13

(2S,3R)-4,6-Diamino-2-({(2ξ)-3-O-[(1S)-2,6-diamino-2,6-dideoxyhexopyranosyl]-D-erythro-pentofuranosyl}oxy)-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxyhexopyranoside

  • Molecular FormulaC23H46N6O13
  • Average mass614.644 Da
  • Monoisotopic mass614.312256 Da
  • ChemSpider ID34246986

  • defined stereocentres - 5 of 19 defined stereocentres

More details:

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

(2S,3R)-4,6-Diamino-2-({(2ξ)-3-O-[(1S)-2,6-diamino-2,6-dideoxyhexopyranosyl]-D-erythro-pentofuranosyl}oxy)-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxyhexopyranoside [ACD/IUPAC Name]
(2S,3R)-4,6-Diamino-2-({(2ξ)-3-O-[(1S)-2,6-diamino-2,6-didesoxyhexopyranosyl]-D-erythro-pentofuranosyl}oxy)-3-hydroxycyclohexyl-2,6-diamino-2,6-didesoxyhexopyranosid [German] [ACD/IUPAC Name]
2,6-Diamino-2,6-didésoxyhexopyranoside de (2S,3R)-4,6-diamino-2-({(2ξ)-3-O-[(1S)-2,6-diamino-2,6-didésoxyhexopyranosyl]-D-érythro-pentofuranosyl}oxy)-3-hydroxycyclohexyle [French] [ACD/IUPAC Name]
Hexopyranoside, (2S,3R)-4,6-diamino-2-[[(2ξ)-3-O-[(1S)-2,6-diamino-2,6-dideoxyhexopyranosyl]-D-erythro-pentofuranosyl]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: 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

Click to predict properties on the Chemicalize site


Advertisement