ChemSpider 2D Image | 4,6-Diamino-2-{[(2xi)-3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)-beta-D-threo-pentofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxyhexopyranoside | C23H45N5O14

4,6-Diamino-2-{[(2ξ)-3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)-β-D-threo-pentofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxyhexopyranoside

  • Molecular FormulaC23H45N5O14
  • Average mass615.628 Da
  • Monoisotopic mass615.296326 Da
  • ChemSpider ID5145971

  • defined stereocentres - 3 of 19 defined stereocentres

More details:

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

2-Amino-2-désoxyhexopyranoside de 4,6-diamino-2-{[(2ξ)-3-O-(2,6-diamino-2,6-didésoxyhexopyranosyl)-β-D-thréo-pentofuranosyl]oxy}-3-hydroxycyclohexyle [French] [ACD/IUPAC Name]
4,6-Diamino-2-{[(2ξ)-3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)-β-D-threo-pentofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxyhexopyranoside [ACD/IUPAC Name]
4,6-Diamino-2-{[(2ξ)-3-O-(2,6-diamino-2,6-didesoxyhexopyranosyl)-β-D-threo-pentofuranosyl]oxy}-3-hydroxycyclohexyl-2-amino-2-desoxyhexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside, 4,6-diamino-2-[[(2ξ)-3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)-β-D-threo-pentofuranosyl]oxy]-3-hydroxycyclohexyl 2-amino-2-deoxy- [ACD/Index Name]

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

Prestwick0_000867 [DBID]
Prestwick1_000867 [DBID]
SPBio_002834 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 939.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 155.1±6.0 kJ/mol
Flash Point: 522.2±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 18
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.27
ACD/LogD (pH 5.5): -11.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 347 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 106.4±5.0 dyne/cm
Molar Volume: 374.1±5.0 cm3

Click to predict properties on the Chemicalize site


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