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D-glucopyranose 1-phosphate

PubChem CID: 439165

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Compound Synonyms glucose 1-phosphate, D-glucopyranose 1-phosphate, GLC-1-P, 1-O-phosphono-D-glucopyranose, CHEBI:16077, [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate, D-glucopyranose 1-(dihydrogen phosphate), a-D-Galactose 1-phosphate, glucopyranose 1-phosphate, SCHEMBL104855, Q27098367, {[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid, (3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen phosphate
Topological Polar Surface Area 157.0
Hydrogen Bond Donor Count 6.0
Heavy Atom Count 16.0
Isotope Atom Count 0.0
Molecular Complexity 277.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 4.0
Iupac Name [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
Prediction Hob 0.0
Xlogp -3.8
Molecular Formula C6H13O9P
Prediction Swissadme 0.0
Inchi Key HXXFSFRBOHSIMQ-GASJEMHNSA-N
Fcsp3 1.0
Logs -6.495
Rotatable Bond Count 3.0
Logd 5.688
Compound Name D-glucopyranose 1-phosphate
Prediction Hob Swissadme 0.0
Exact Mass 260.03
Formal Charge 0.0
Monoisotopic Mass 260.03
Hydrogen Bond Acceptor Count 9.0
Molecular Weight 260.14
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol 1.4415630000000004
Inchi InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
Smiles C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OP(=O)(O)O)O)O)O)O
Nring 5.0
Defined Bond Stereocenter Count 0.0

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