5-iminohexane-1,2,3,4-tetrol

C6H13NO4 — CID 88890967

IUPAC5-iminohexane-1,2,3,4-tetrol
SMILES[H]/N=C(\C)C(O)C(O)C(O)CO
InChIInChI=1S/C6H13NO4/c1-3(7)5(10)6(11)4(9)2-8/h4-11H,2H2,1H3/b7-3+
InChIKeyQMBGSZNIRFVKLI-XVNBXDOJSA-N
MW163.17 g/mol
LogP-1.90
Rot. Bonds4

About 5-iminohexane-1,2,3,4-tetrol

5-iminohexane-1,2,3,4-tetrol (PubChem CID 88890967) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 5-iminohexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name5-iminohexane-1,2,3,4-tetrol
PubChem CID88890967
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name5-iminohexane-1,2,3,4-tetrol
SMILES[H]/N=C(\C)C(O)C(O)C(O)CO
InChIInChI=1S/C6H13NO4/c1-3(7)5(10)6(11)4(9)2-8/h4-11H,2H2,1H3/b7-3+
InChIKeyQMBGSZNIRFVKLI-XVNBXDOJSA-N
XLogP-1.90
TPSA104.77 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-1.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iminohexane-1,2,3,4-tetrol?
The IUPAC name of 5-iminohexane-1,2,3,4-tetrol (CID 88890967) is 5-iminohexane-1,2,3,4-tetrol.
What is the SMILES notation for 5-iminohexane-1,2,3,4-tetrol?
The canonical SMILES for 5-iminohexane-1,2,3,4-tetrol is [H]/N=C(\C)C(O)C(O)C(O)CO.
What is the InChIKey of 5-iminohexane-1,2,3,4-tetrol?
The InChIKey is QMBGSZNIRFVKLI-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H13NO4/c1-3(7)5(10)6(11)4(9)2-8/h4-11H,2H2,1H3/b7-3+.
What are the key properties of 5-iminohexane-1,2,3,4-tetrol?
5-iminohexane-1,2,3,4-tetrol has a molecular weight of 163.17 g/mol, XLogP of -1.90, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iminohexane-1,2,3,4-tetrol is sourced from PubChem (CID 88890967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).