ChemSpider 2D Image | Butirosin B | C21H41N5O12

Butirosin B

  • Molecular FormulaC21H41N5O12
  • Average mass555.576 Da
  • Monoisotopic mass555.275146 Da
  • ChemSpider ID16735713

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(2S)-4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-ribofuranosyloxy)cyclohexyl]-2-hydroxybutanamide [ACD/IUPAC Name]
(2S)-4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-didesoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-ribofuranosyloxy)cyclohexyl]-2-hydroxybutanamid [German] [ACD/IUPAC Name]
(2S)-4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-didésoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-ribofuranosyloxy)cyclohexyl]-2-hydroxybutanamide [French] [ACD/IUPAC Name]
1-N-[(S)-4-Amino-2-(hydroxybutyryl)]ribostamycin
34291-03-7 [RN]
Ambutyrosin B
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-(β-D-ribofuranosyloxy)cyclohexyl]-2-hydroxy-, (2S)- [ACD/Index Name]
Butirosin B
Butyrosin B
O-2,6-Diamino-2,6-dideoxy-a-D-glucopyranosyl-(1®4)-O-(b-D-ribofuranosyl-(1®5))-N1-((S)-4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-D-streptamine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BC4D059GIG [DBID]
UNII:BC4D059GIG [DBID]
UNII-BC4D059GIG [DBID]
  • Miscellaneous

    • Chemical Class:

      A butirosin that consists of neamine in which is substituted at position 2 by a <stereo>beta</stereo>-<stereo>D</stereo>-ribofuranosyl and at position 4 by an (<stereo>S</stereo>)-2-hydroxy-4-aminobut yryl group. ChEBI CHEBI:65110
      A butirosin that consists of neamine in which is substituted at position 2 by a beta-D-ribofuranosyl and at position 4 by an (S)-2-hydroxy-4-aminobut; yryl group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65110
      A butirosin that consists of neamine in which is substituted at position 2 by a beta-D-ribofuranosyl and at position 4 by an (S)-2-hydroxy-4-aminobutyryl group. ChEBI CHEBI:65110

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

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

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