ChemSpider 2D Image | Yazumycin A | C19H34N8O8

Yazumycin A

  • Molecular FormulaC19H34N8O8
  • Average mass502.522 Da
  • Monoisotopic mass502.249969 Da
  • ChemSpider ID170645

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3aS,7R,7aS)-2-[[4-O-(Aminocarbonyl)-2-deoxy-2-[[(3S)-3,6-diamino-1-oxohexyl]amino]-β-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-7-hydroxy-4H-imidazo[4,5-c]pyridin-4-one
4-O-Carbamoyl-2-deoxy-2-{[(3S)-3,6-diaminohexanoyl]amino}-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-β-D-gulopyranosylamine [ACD/IUPAC Name]
4-O-Carbamoyl-2-desoxy-2-{[(3S)-3,6-diaminohexanoyl]amino}-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-β-D-gulopyranosylamin [German] [ACD/IUPAC Name]
4-O-Carbamoyl-2-désoxy-2-{[(3S)-3,6-diaminohexanoyl]amino}-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-β-D-gulopyranosylamine [French] [ACD/IUPAC Name]
Racemomycin A
streptothricin F
Yazumycin A
β-D-Gulopyranosylamine, 2-deoxy-2-[[(3S)-3,6-diamino-1-oxohexyl]amino]-N-[(3aS,7R,7aS)-3a,4,5,6,7,7a-hexahydro-7-hydroxy-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl]-, 4-carbamate [ACD/Index Name]
[(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3,6-diaminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
4H-Imidazo(4,5-c)pyridin-4-one, 2-((2-deoxy-2-(3,6-diaminohexanamido)-β-D-gulopyranosyl)amino)-3,3a,5,6,7,7a-hexahydro-7-hydroxy-, 6'-carbamate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 6031385 [DBID]
  • Miscellaneous

    • Chemical Class:

      A streptothricin in which the peptide side-chain consists of a single unit of <locant>beta</locant>-lysine. ChEBI CHEBI:26789, CHEBI:60821
      A streptothricin in which the peptide side-chain consists of a single unit of beta-lysine. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:60821, CHEBI:60821
      An <element>N</element>-glycosyl compound consisting of 2-amino-4-<element>O</element>-carbamoyl-2-deoxy-<element>N</element>-[(3a<stereo>S</stereo>,7<stereo>R</stereo>,7a<stereo>S</stereo>)-7-hydroxy -4-oxooctahydro-2<element>H</element>-imidazo[4,5-<ital>c</ital>]pyridin-2-ylidene]-<stereo>beta</stereo>-<stereo>D</stereo>-gulopyranosylamine in which the amino group at position 2 of the gulopyrano syl moiety is acylated by a peptide unit made up of between 1 and 7 <element>N</element><smallsup><locant>epsilon</locant></smallsup>-linked units of <locant>beta</locant>-lysine. ChEBI CHEBI:26789, CHEBI:60821
      An N-glycosyl compound consisting of 2-amino-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxooctahydro-2H-imidazo[4,5-c]pyridin-2-ylidene]-beta-D-gulopyranosylamine in which the amino group at po sition 2 of the gulopyranosyl moiety is acylated by a peptide unit made up of between 1 and 7 N(epsilon)-linked units of beta-lysine. ChEBI CHEBI:26789

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.790
Molar Refractivity: 111.4±0.5 cm3
#H bond acceptors: 16
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -5.74
ACD/LogD (pH 5.5): -10.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 92.7±7.0 dyne/cm
Molar Volume: 263.1±7.0 cm3

Click to predict properties on the Chemicalize site


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