2,3,4,5-tetrahydroxyheptanimidamide

C7H16N2O4 — CID 163818041

IUPAC2,3,4,5-tetrahydroxyheptanimidamide
SMILES[H]/N=C(\N)C(O)C(O)C(O)C(O)CC
InChIInChI=1S/C7H16N2O4/c1-2-3(10)4(11)5(12)6(13)7(8)9/h3-6,10-13H,2H2,1H3,(H3,8,9)
InChIKeyLQYKSICOOHFTLQ-UHFFFAOYSA-N
MW192.22 g/mol
LogP-2.22
Rot. Bonds5

About 2,3,4,5-tetrahydroxyheptanimidamide

2,3,4,5-tetrahydroxyheptanimidamide (PubChem CID 163818041) has the molecular formula C7H16N2O4 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2,3,4,5-tetrahydroxyheptanimidamide.

Molecular Properties

Compound Name2,3,4,5-tetrahydroxyheptanimidamide
PubChem CID163818041
Molecular FormulaC7H16N2O4
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name2,3,4,5-tetrahydroxyheptanimidamide
SMILES[H]/N=C(\N)C(O)C(O)C(O)C(O)CC
InChIInChI=1S/C7H16N2O4/c1-2-3(10)4(11)5(12)6(13)7(8)9/h3-6,10-13H,2H2,1H3,(H3,8,9)
InChIKeyLQYKSICOOHFTLQ-UHFFFAOYSA-N
XLogP-2.22
TPSA130.79 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500192.22
LogP ≤ 5-2.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydroxyheptanimidamide?
The IUPAC name of 2,3,4,5-tetrahydroxyheptanimidamide (CID 163818041) is 2,3,4,5-tetrahydroxyheptanimidamide.
What is the SMILES notation for 2,3,4,5-tetrahydroxyheptanimidamide?
The canonical SMILES for 2,3,4,5-tetrahydroxyheptanimidamide is [H]/N=C(\N)C(O)C(O)C(O)C(O)CC.
What is the InChIKey of 2,3,4,5-tetrahydroxyheptanimidamide?
The InChIKey is LQYKSICOOHFTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4/c1-2-3(10)4(11)5(12)6(13)7(8)9/h3-6,10-13H,2H2,1H3,(H3,8,9).
What are the key properties of 2,3,4,5-tetrahydroxyheptanimidamide?
2,3,4,5-tetrahydroxyheptanimidamide has a molecular weight of 192.22 g/mol, XLogP of -2.22, 5 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydroxyheptanimidamide is sourced from PubChem (CID 163818041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).