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 (1S)-2-amino-2-deoxyhexopyranoside | C23H45N5O14

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

  • Molecular FormulaC23H45N5O14
  • Average mass615.628 Da
  • Monoisotopic mass615.296326 Da
  • ChemSpider ID26382041
  • defined stereocentres - 6 of 19 defined stereocentres


More details:






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

(1S)-2-Amino-2-désoxyhexopyranoside 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]
(2S,3R)-4,6-Diamino-2-({(2ξ)-3-O-[(1S)-2,6-diamino-2,6-dideoxyhexopyranosyl]-D-erythro-pentofuranosyl}oxy)-3-hydroxycyclohexyl (1S)-2-amino-2-deoxyhexopyranoside [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-(1S)-2-amino-2-desoxyhexopyranosid [German] [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-amino-2-deoxy-, (1S)- [ACD/Index Name]

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

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

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