ChemSpider 2D Image | (4S,5S)-4-[(1R)-2-Ammonio-1-hydroxyethyl]-2-{[(2R,3R,4S,5R,6R)-5-(carbamoyloxy)-3-{[(3S)-3,6-diammoniohexanoyl]amino}-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]ammonio}-4,5-dihydro-1H-imidaz ole-5-carboxylate | C19H39N8O9

(4S,5S)-4-[(1R)-2-Ammonio-1-hydroxyethyl]-2-{[(2R,3R,4S,5R,6R)-5-(carbamoyloxy)-3-{[(3S)-3,6-diammoniohexanoyl]amino}-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]ammonio}-4,5-dihydro-1H-imidaz ole-5-carboxylate

  • Molecular FormulaC19H39N8O9
  • Average mass523.560 Da
  • Monoisotopic mass523.282349 Da
  • ChemSpider ID26332020

  • Charge - Charge

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4S,5S)-4-[(1R)-2-Ammonio-1-hydroxyethyl]-2-{[(2R,3R,4S,5R,6R)-5-(carbamoyloxy)-3-{[(3S)-3,6-diammoniohexanoyl]amino}-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]ammonio}-4,5-dihydro-1H-imidaz ol-5-carboxylat [German] [ACD/IUPAC Name]
(4S,5S)-4-[(1R)-2-Ammonio-1-hydroxyethyl]-2-{[(2R,3R,4S,5R,6R)-5-(carbamoyloxy)-3-{[(3S)-3,6-diammoniohexanoyl]amino}-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]ammonio}-4,5-dihydro-1H-imidaz ole-5-carboxylate [ACD/IUPAC Name]
(4S,5S)-4-[(1R)-2-Ammonio-1-hydroxyéthyl]-2-{[(2R,3R,4S,5R,6R)-5-(carbamoyloxy)-3-{[(3S)-3,6-diammoniohexanoyl]amino}-4-hydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]ammonio}-4,5-dihydro-1H-imidaz ole-5-carboxylate [French] [ACD/IUPAC Name]
β-D-Gulopyranosylamine, N-[(4S,5S)-4-[(1R)-2-amino-1-hydroxyethyl]-5-carboxy-2-imidazolidinylidene]-2-deoxy-2-[[(3S)-3,6-diamino-1-oxohexyl]amino]-, 4-carbamate, inner salt, conjugate triacid [ACD/Index Name]
(2E,4S,5S)-5-[(1R)-2-ammonio-1-hydroxyethyl]-2-{[(2R,3R,4S,5R,6R)-5-(carbamoyloxy)-3-{[(3S)-3,6-diammoniohexanoyl]amino}-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]iminio}imidazolidine-4-carb
(2E,4S,5S)-5-[(1R)-2-ammonio-1-hydroxyethyl]-2-{[(2R,3R,4S,5R,6R)-5-(carbamoyloxy)-3-{[(3S)-3,6-diammoniohexanoyl]amino}-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]iminio}imidazolidine-4-carboxylate
oxylate
streptothricin F acid
streptothricin F acid (pH 7.3)
  • Miscellaneous

    • Chemical Class:

      A primary aliphatic ammonium ion which is obtained from streptothricin F by protonation of the guanidino and amino groups and deprotonation of the carboxylic acid group. ChEBI CHEBI:60838

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 15
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -4.38
ACD/LogD (pH 5.5): -10.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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