4-hydroxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide

C14H18N2O8 — CID 24856350

IUPAC4-hydroxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccc(O)cc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H18N2O8/c17-5-8-9(19)10(20)11(21)13(24-8)16-14(23)15-12(22)6-1-3-7(18)4-2-6/h1-4,8-11,13,17-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1
InChIKeyYHOJJLBUFKEFNL-BZNQNGANSA-N
MW342.30 g/mol
LogP-2.37
Rot. Bonds3

About 4-hydroxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide

4-hydroxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide (PubChem CID 24856350) has the molecular formula C14H18N2O8 and a molecular weight of 342.30 g/mol. Its IUPAC name is 4-hydroxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide
PubChem CID24856350
Molecular FormulaC14H18N2O8
Molecular Weight342.30 g/mol
Exact Mass342.11
IUPAC Name4-hydroxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccc(O)cc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H18N2O8/c17-5-8-9(19)10(20)11(21)13(24-8)16-14(23)15-12(22)6-1-3-7(18)4-2-6/h1-4,8-11,13,17-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1
InChIKeyYHOJJLBUFKEFNL-BZNQNGANSA-N
XLogP-2.37
TPSA168.58 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.30
LogP ≤ 5-2.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide?
The IUPAC name of 4-hydroxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide (CID 24856350) is 4-hydroxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide is O=C(NC(=O)c1ccc(O)cc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of 4-hydroxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide?
The InChIKey is YHOJJLBUFKEFNL-BZNQNGANSA-N. The full InChI is InChI=1S/C14H18N2O8/c17-5-8-9(19)10(20)11(21)13(24-8)16-14(23)15-12(22)6-1-3-7(18)4-2-6/h1-4,8-11,13,17-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1.
What are the key properties of 4-hydroxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide?
4-hydroxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide has a molecular weight of 342.30 g/mol, XLogP of -2.37, 3 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide is sourced from PubChem (CID 24856350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).