JIW

C₇H₁₅NO₅ — CID 162423103

About JIW

JIW (PubChem CID 162423103) has the molecular formula C₇H₁₅NO₅ and a molecular weight of 193.20 g/mol. Its IUPAC name is (1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol.

Molecular Properties

• Compound Name: JIW
• PubChem CID: 162423103
• Molecular Formula: C₇H₁₅NO₅
• Molecular Weight: 193.20 g/mol
• Exact Mass: 193.10
• IUPAC Name: (1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
• SMILES: N[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO
• InChI: InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3+,4+,5-,6-,7+/m0/s1
• InChIKey: SWVTZDDSAFUTKS-DOMFMGKQSA-N
• XLogP: -3.62
• TPSA: 127.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	193.20
LogP ≤ 5	-3.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of JIW?

The IUPAC name of JIW (CID 162423103) is (1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol.

What is the SMILES notation for JIW?

The canonical SMILES for JIW is N[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO.

What is the InChIKey of JIW?

The InChIKey is SWVTZDDSAFUTKS-DOMFMGKQSA-N. The full InChI is InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3+,4+,5-,6-,7+/m0/s1.

What are the key properties of JIW?

JIW has a molecular weight of 193.20 g/mol, XLogP of -3.62, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for JIW is sourced from PubChem (CID 162423103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162423103 — identifiers, structure, computed properties (public domain)

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