2,2,3,3,4,4,5,5,6-nonahydroxyhexanoic acid

C6H12O11 — CID 169206916

IUPAC2,2,3,3,4,4,5,5,6-nonahydroxyhexanoic acid
SMILESO=C(O)C(O)(O)C(O)(O)C(O)(O)C(O)(O)CO
InChIInChI=1S/C6H12O11/c7-1-3(10,11)5(14,15)6(16,17)4(12,13)2(8)9/h7,10-17H,1H2,(H,8,9)
InChIKeyCJCOISJZBZXDAZ-UHFFFAOYSA-N
MW260.15 g/mol
LogP-6.21
Rot. Bonds5

About 2,2,3,3,4,4,5,5,6-nonahydroxyhexanoic acid

2,2,3,3,4,4,5,5,6-nonahydroxyhexanoic acid (PubChem CID 169206916) has the molecular formula C6H12O11 and a molecular weight of 260.15 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6-nonahydroxyhexanoic acid.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6-nonahydroxyhexanoic acid
PubChem CID169206916
Molecular FormulaC6H12O11
Molecular Weight260.15 g/mol
Exact Mass260.04
IUPAC Name2,2,3,3,4,4,5,5,6-nonahydroxyhexanoic acid
SMILESO=C(O)C(O)(O)C(O)(O)C(O)(O)C(O)(O)CO
InChIInChI=1S/C6H12O11/c7-1-3(10,11)5(14,15)6(16,17)4(12,13)2(8)9/h7,10-17H,1H2,(H,8,9)
InChIKeyCJCOISJZBZXDAZ-UHFFFAOYSA-N
XLogP-6.21
TPSA219.37 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.15
LogP ≤ 5-6.21
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2,2,3,3-tetrahydroxypentanoic acid
CID 123306357
(3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid
CID 151869449
3,3,3-trichloro-2,2-dihydroxypropanoic acid
CID 2723815
2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid
CID 86184670
2,2,3,3-tetrahydroxy-4-oxopentanedioic acid
CID 172774596
(2S)-2,3-dihydroxy-2-phosphonopropanoic acid
CID 101412434
cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
CID 174867740
3-hydroxy-2,2-dimethylpropanoic acid;silver
CID 87183588
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;silver
CID 87183667
2-amino-2-fluoro-3-hydroxypropanoic acid
CID 156746245
(2-carboxy-1-hydroxypropan-2-yl)azanium
CID 163480089
2,3-diamino-2-(hydroxymethyl)butanoic acid
CID 22035189

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6-nonahydroxyhexanoic acid?
The IUPAC name of 2,2,3,3,4,4,5,5,6-nonahydroxyhexanoic acid (CID 169206916) is 2,2,3,3,4,4,5,5,6-nonahydroxyhexanoic acid.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6-nonahydroxyhexanoic acid?
The canonical SMILES for 2,2,3,3,4,4,5,5,6-nonahydroxyhexanoic acid is O=C(O)C(O)(O)C(O)(O)C(O)(O)C(O)(O)CO.
What is the InChIKey of 2,2,3,3,4,4,5,5,6-nonahydroxyhexanoic acid?
The InChIKey is CJCOISJZBZXDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O11/c7-1-3(10,11)5(14,15)6(16,17)4(12,13)2(8)9/h7,10-17H,1H2,(H,8,9).
What are the key properties of 2,2,3,3,4,4,5,5,6-nonahydroxyhexanoic acid?
2,2,3,3,4,4,5,5,6-nonahydroxyhexanoic acid has a molecular weight of 260.15 g/mol, XLogP of -6.21, 5 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6-nonahydroxyhexanoic acid is sourced from PubChem (CID 169206916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).