ChemSpider 2D Image | (2S)-4-Amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(2,3-diamino-2,3-dideoxy-alpha-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybut
anamide | C22H45N7O9

(2S)-4-Amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(2,3-diamino-2,3-dideoxy-α-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybut anamide

  • Molecular FormulaC22H45N7O9
  • Average mass551.634 Da
  • Monoisotopic mass551.327881 Da
  • ChemSpider ID170875
  • defined stereocentres - 14 of 14 defined stereocentres


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

(2S)-4-Amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(2,3-diamino-2,3-dideoxy-α-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybut anamide [ACD/IUPAC Name]
(2S)-4-Amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(2,3-diamino-2,3-didesoxy-α-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradesoxy-α-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxyb utanamid [German] [ACD/IUPAC Name]
(2S)-4-Amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(2,3-diamino-2,3-didésoxy-α-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tétradésoxy-α-D-érythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxyb utanamide [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2,3-diamino-2,3-dideoxy-α-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl]-2-hyd roxy-, (2S)- [ACD/Index Name]
(2S)-4-AMINO-N-[(1R,2S,3S,4R,5S)-5-AMINO-4-{[(2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)OXAN-2-YL]OXY}-2-{[(2S,3R,4R,5S,6R)-3,4-DIAMINO-5-HYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXYCYCLOHEXYL]-2-HYDROXYBUTANAMIDE
147920-22-7 [RN]
2/'/'-amino-2/'/'-deoxyarbekacin
2''-Amino-2''-deoxyarbekacin
2''-Amino-2''-deoxy-arbekacin
2'-AMINO-2'-DEOXYARBEKACIN
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 880.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.4±6.0 kJ/mol
Flash Point: 486.5±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 136.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 17
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.25
ACD/LogD (pH 5.5): -12.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 303 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 84.9±5.0 dyne/cm
Molar Volume: 380.7±5.0 cm3

Click to predict properties on the Chemicalize site






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