amino 2,3,4,5-tetrahydroxy-6-oxohexanoate

C6H11NO7 — CID 88685790

IUPACamino 2,3,4,5-tetrahydroxy-6-oxohexanoate
SMILESNOC(=O)C(O)C(O)C(O)C(O)C=O
InChIInChI=1S/C6H11NO7/c7-14-6(13)5(12)4(11)3(10)2(9)1-8/h1-5,9-12H,7H2
InChIKeyISTKEEQLOCKSRX-UHFFFAOYSA-N
MW209.15 g/mol
LogP-3.95
Rot. Bonds5

About amino 2,3,4,5-tetrahydroxy-6-oxohexanoate

amino 2,3,4,5-tetrahydroxy-6-oxohexanoate (PubChem CID 88685790) has the molecular formula C6H11NO7 and a molecular weight of 209.15 g/mol. Its IUPAC name is amino 2,3,4,5-tetrahydroxy-6-oxohexanoate.

Molecular Properties

Compound Nameamino 2,3,4,5-tetrahydroxy-6-oxohexanoate
PubChem CID88685790
Molecular FormulaC6H11NO7
Molecular Weight209.15 g/mol
Exact Mass209.05
IUPAC Nameamino 2,3,4,5-tetrahydroxy-6-oxohexanoate
SMILESNOC(=O)C(O)C(O)C(O)C(O)C=O
InChIInChI=1S/C6H11NO7/c7-14-6(13)5(12)4(11)3(10)2(9)1-8/h1-5,9-12H,7H2
InChIKeyISTKEEQLOCKSRX-UHFFFAOYSA-N
XLogP-3.95
TPSA150.31 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 5-3.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze amino 2,3,4,5-tetrahydroxy-6-oxohexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetyl (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate
CID 87902717
ethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate
CID 131845981
propyl 2,3,4,5-tetrahydroxy-6-oxohexanoate
CID 21477324
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxoheptanedial
CID 22790541
2,3,4,5-tetrahydroxy-6-oxohexanoate
CID 14123183
ethane;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 161182405
iron(3+);tris((2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate)
CID 173117266
(2R,3S,4S,5S)-2-[(2R,3S,4R,5S)-5-carboxy-2,3,4,5-tetrahydroxypentanoyl]oxy-4,5-dihydroxy-3-[(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoyl]oxyhexanedioic acid
CID 87194699
[(2S,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl] (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate
CID 87378544
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl] (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate
CID 87201536
benzyl (2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoate
CID 140997217
sulfuric acid;2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 174175458

Frequently Asked Questions

What is the IUPAC name of amino 2,3,4,5-tetrahydroxy-6-oxohexanoate?
The IUPAC name of amino 2,3,4,5-tetrahydroxy-6-oxohexanoate (CID 88685790) is amino 2,3,4,5-tetrahydroxy-6-oxohexanoate.
What is the SMILES notation for amino 2,3,4,5-tetrahydroxy-6-oxohexanoate?
The canonical SMILES for amino 2,3,4,5-tetrahydroxy-6-oxohexanoate is NOC(=O)C(O)C(O)C(O)C(O)C=O.
What is the InChIKey of amino 2,3,4,5-tetrahydroxy-6-oxohexanoate?
The InChIKey is ISTKEEQLOCKSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO7/c7-14-6(13)5(12)4(11)3(10)2(9)1-8/h1-5,9-12H,7H2.
What are the key properties of amino 2,3,4,5-tetrahydroxy-6-oxohexanoate?
amino 2,3,4,5-tetrahydroxy-6-oxohexanoate has a molecular weight of 209.15 g/mol, XLogP of -3.95, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2,3,4,5-tetrahydroxy-6-oxohexanoate is sourced from PubChem (CID 88685790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).