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(2S)-3-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enenitrile

PubChem CID: 6324886

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Topological Polar Surface Area 143.0
Hydrogen Bond Donor Count 5.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 365.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 6.0
Iupac Name (2S)-3-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enenitrile
Prediction Hob 0.0
Xlogp -2.0
Molecular Formula C11H17NO7
Prediction Swissadme 0.0
Inchi Key MQTLCYHUTVTHFO-VFZPANTDSA-N
Fcsp3 0.7272727272727273
Logs -0.619
Rotatable Bond Count 5.0
Logd -1.533
Compound Name (2S)-3-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enenitrile
Prediction Hob Swissadme 0.0
Exact Mass 275.101
Formal Charge 0.0
Monoisotopic Mass 275.101
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 275.25
Covalent Unit Count 1.0
Total Atom Stereocenter Count 6.0
Total Bond Stereocenter Count 0.0
Esol 0.07490659999999977
Inchi InChI=1S/C11H17NO7/c1-5(3-13)6(2-12)18-11-10(17)9(16)8(15)7(4-14)19-11/h6-11,13-17H,1,3-4H2/t6-,7-,8+,9+,10-,11-/m1/s1
Smiles C=C(CO)[C@@H](C#N)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Nring 1.0
Defined Bond Stereocenter Count 0.0

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