ChemSpider 2D Image | HBK | C22H44N6O10

HBK

  • Molecular FormulaC22H44N6O10
  • Average mass552.619 Da
  • Monoisotopic mass552.311890 Da
  • ChemSpider ID16736105

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(S)-O-3-Amino-3-deoxy-a-D-glucopyranosyl-(1®6)-O-[2,6-diamino-2,3,4,6-tetradeoxy-a-D-erythrohexopyranosyl-(1®4)]-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-D-streptamine
104931-87-5 [RN]
1-N-[(S)-4-Amino-2-hydroxybutyryl]-3',4'-dideoxykanamycin B
1-N-[(S)-4-Amino-2-hydroxybutyryl]dibekacin
4-Amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide [ACD/IUPAC Name]
4-Amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-desoxy-α-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradesoxy-α-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamid [German] [ACD/IUPAC Name]
4-Amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-désoxy-α-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tétradésoxy-α-D-érythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide [French] [ACD/IUPAC Name]
51025-85-5 [RN]
AHB-DKB
Butanamide, 4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl]-2-hydroxy- [ACD/Index Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 904.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.2±6.0 kJ/mol
Flash Point: 500.5±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 16
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.00
ACD/LogD (pH 5.5): -11.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 297 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 86.8±5.0 dyne/cm
Molar Volume: 374.5±5.0 cm3

Click to predict properties on the Chemicalize site


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