2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride

C6H14ClNO5 — CID 5351447

IUPAC2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride
SMILESCl.NC(C=O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H13NO5.ClH/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H
InChIKeyCBOJBBMQJBVCMW-UHFFFAOYSA-N
MW215.63 g/mol
LogP-2.99
Rot. Bonds5

About 2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride

2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride (PubChem CID 5351447) has the molecular formula C6H14ClNO5 and a molecular weight of 215.63 g/mol. Its IUPAC name is 2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride.

Molecular Properties

Compound Name2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride
PubChem CID5351447
Molecular FormulaC6H14ClNO5
Molecular Weight215.63 g/mol
Exact Mass215.06
IUPAC Name2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride
SMILESCl.NC(C=O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H13NO5.ClH/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H
InChIKeyCBOJBBMQJBVCMW-UHFFFAOYSA-N
XLogP-2.99
TPSA124.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.63
LogP ≤ 5-2.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride?
The IUPAC name of 2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride (CID 5351447) is 2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride.
What is the SMILES notation for 2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride?
The canonical SMILES for 2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride is Cl.NC(C=O)C(O)C(O)C(O)CO.
What is the InChIKey of 2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride?
The InChIKey is CBOJBBMQJBVCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5.ClH/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H.
What are the key properties of 2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride?
2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride has a molecular weight of 215.63 g/mol, XLogP of -2.99, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride is sourced from PubChem (CID 5351447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).