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beta-D-glucosaminyl-(1->4)-beta-D-glucosamine

PubChem CID: 16213812

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Compound Synonyms 148411-57-8, beta-D-glucosaminyl-(1->4)-beta-D-glucosamine, 77224-08-9, b-D-Glucopyranose,2-amino-4-O-(2-amino-2-deoxy-b-D-glucopyranosyl)-2-deoxy-, (2R,3R,4R,5S,6R)-3-amino-5-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,4-diol, (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol, CHEBI:50677, DTXSID80584131, 2-amino-4-O-(2-amino-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-beta-D-glucopyranose, Chitosan HCl, Chitosan oligosaccharide HCl, Chitosan Oligosaccharide Hydrochloride Salt (Technical Grade), WURCS=2.0/1,2,1/(a2122h-1b_1-5_2*N)/1-1/a4-b1, WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*N]/1-1/a4-b1, (2R,3R,4R,5S,6R)-3-amino-5-(((2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-6-(hydroxymethyl)oxane-2,4-diol, Chitosan oligosaccharide?, SCHEMBL186177, DTXCID60534896, QLTSDROPCWIKKY-PMCTYKHCSA-N, AKOS037515792, OC45121, CS-0239055, EN300-204847, G22311, Chitosan oligosaccharide lactate, average Mn 5,000, Q27122179, 2-Amino-4-O-(2-amino-2-deoxy-, A-D-glucopyranosyl)-2-deoxy-, A-D-glucopyranose, (2R,3R,4R,5S,6R)-3-AMINO-5-(((2S,3R,4R,5S,6R)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YL)OXY)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2,4-DIOL, (2R,3S,4R,5R,6S)-5-AMINO-6-{[(2R,3S,4R,5R,6R)-5-AMINO-4,6-DIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXY}-2-(HYDROXYMETHYL)OXANE-3,4-DIOL, 963-937-2
Topological Polar Surface Area 201.0
Hydrogen Bond Donor Count 8.0
Heavy Atom Count 23.0
Isotope Atom Count 0.0
Molecular Complexity 390.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 10.0
Iupac Name (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
Prediction Hob 0.0
Xlogp -5.2
Molecular Formula C12H24N2O9
Prediction Swissadme 0.0
Inchi Key QLTSDROPCWIKKY-PMCTYKHCSA-N
Fcsp3 1.0
Logs -0.38
Rotatable Bond Count 4.0
Logd -2.509
Compound Name beta-D-glucosaminyl-(1->4)-beta-D-glucosamine
Prediction Hob Swissadme 0.0
Exact Mass 340.148
Formal Charge 0.0
Monoisotopic Mass 340.148
Hydrogen Bond Acceptor Count 11.0
Molecular Weight 340.33
Covalent Unit Count 1.0
Total Atom Stereocenter Count 10.0
Total Bond Stereocenter Count 0.0
Esol 1.6214601999999998
Inchi InChI=1S/C12H24N2O9/c13-5-9(19)10(4(2-16)21-11(5)20)23-12-6(14)8(18)7(17)3(1-15)22-12/h3-12,15-20H,1-2,13-14H2/t3-,4-,5-,6-,7-,8-,9-,10-,11-,12+/m1/s1
Smiles C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O)CO)N)O)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Aglaia Gigantea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Andropogon Nardus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Clibadium Pentaneuron (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Croton Californicus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Croton Sparsiflorus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Culcitium Canescens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Dendrobium Rotundatum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Eriostemon Fitzgeraldii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Espeletia Marcana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Malva Crispa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Neoalsomitra Integrifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Nolina Erumpens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Petasites Niveus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Picrorhiza Kurrooa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Piptolepis Leptospermoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Ratibida Latipalearis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Solanum Toxicarium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Toxicodendron Succedaneum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Weddellina Squamulosa (Plant) Rel Props:Source_db:cmaup_ingredients
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