ChemSpider 2D Image | 4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide | C21H41N5O12

4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide

  • Molecular FormulaC21H41N5O12
  • Average mass555.576 Da
  • Monoisotopic mass555.275146 Da
  • ChemSpider ID4642526
  • defined stereocentres - 13 of 15 defined stereocentres


More details:






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

4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide [ACD/IUPAC Name]
4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-didesoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamid [German] [ACD/IUPAC Name]
4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-didésoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(D-xylofuranosyloxy)cyclohexyl]-2-hydroxy- [ACD/Index Name]

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

DivK1c_000467 [DBID]
KBio1_000467 [DBID]
NINDS_000467 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 947.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.4±6.0 kJ/mol
Flash Point: 526.8±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 128.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 16
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.21
ACD/LogD (pH 5.5): -10.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 99.3±5.0 dyne/cm
Molar Volume: 350.0±5.0 cm3

Click to predict properties on the Chemicalize site






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