5-(2-chlorophenyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furan-2-carbohydrazide

C17H19ClN2O7 — CID 102144840

About 5-(2-chlorophenyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furan-2-carbohydrazide

5-(2-chlorophenyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furan-2-carbohydrazide (PubChem CID 102144840) has the molecular formula C17H19ClN2O7 and a molecular weight of 398.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furan-2-carbohydrazide.

Molecular Properties

• Compound Name: 5-(2-chlorophenyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furan-2-carbohydrazide
• PubChem CID: 102144840
• Molecular Formula: C17H19ClN2O7
• Molecular Weight: 398.80 g/mol
• Exact Mass: 398.09
• IUPAC Name: 5-(2-chlorophenyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furan-2-carbohydrazide
• SMILES: O=C(NN[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(-c2ccccc2Cl)o1
• InChI: InChI=1S/C17H19ClN2O7/c18-9-4-2-1-3-8(9)10-5-6-11(26-10)16(25)19-20-17-15(24)14(23)13(22)12(7-21)27-17/h1-6,12-15,17,20-24H,7H2,(H,19,25)/t12-,13-,14+,15-,17-/m1/s1
• InChIKey: WPJOUXNJNKCJRO-OWVAZHOYSA-N
• XLogP: -0.37
• TPSA: 144.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.80
LogP ≤ 5	-0.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furan-2-carbohydrazide?

The IUPAC name of 5-(2-chlorophenyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furan-2-carbohydrazide (CID 102144840) is 5-(2-chlorophenyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furan-2-carbohydrazide.

What is the SMILES notation for 5-(2-chlorophenyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furan-2-carbohydrazide?

The canonical SMILES for 5-(2-chlorophenyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furan-2-carbohydrazide is O=C(NN[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(-c2ccccc2Cl)o1.

What is the InChIKey of 5-(2-chlorophenyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furan-2-carbohydrazide?

The InChIKey is WPJOUXNJNKCJRO-OWVAZHOYSA-N. The full InChI is InChI=1S/C17H19ClN2O7/c18-9-4-2-1-3-8(9)10-5-6-11(26-10)16(25)19-20-17-15(24)14(23)13(22)12(7-21)27-17/h1-6,12-15,17,20-24H,7H2,(H,19,25)/t12-,13-,14+,15-,17-/m1/s1.

What are the key properties of 5-(2-chlorophenyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furan-2-carbohydrazide?

5-(2-chlorophenyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furan-2-carbohydrazide has a molecular weight of 398.80 g/mol, XLogP of -0.37, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chlorophenyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furan-2-carbohydrazide is sourced from PubChem (CID 102144840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).