(5R)-5,6-dihydroxy-2,4-dioxohexanoic acid

C6H8O6 — CID 90984317

IUPAC(5R)-5,6-dihydroxy-2,4-dioxohexanoic acid
SMILESO=C(O)C(=O)CC(=O)[C@H](O)CO
InChIInChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h5,7,10H,1-2H2,(H,11,12)/t5-/m1/s1
InChIKeyVRNAGRDRIFLVDH-RXMQYKEDSA-N
MW176.12 g/mol
LogP-2.05
Rot. Bonds5

About (5R)-5,6-dihydroxy-2,4-dioxohexanoic acid

(5R)-5,6-dihydroxy-2,4-dioxohexanoic acid (PubChem CID 90984317) has the molecular formula C6H8O6 and a molecular weight of 176.12 g/mol. Its IUPAC name is (5R)-5,6-dihydroxy-2,4-dioxohexanoic acid.

Molecular Properties

Compound Name(5R)-5,6-dihydroxy-2,4-dioxohexanoic acid
PubChem CID90984317
Molecular FormulaC6H8O6
Molecular Weight176.12 g/mol
Exact Mass176.03
IUPAC Name(5R)-5,6-dihydroxy-2,4-dioxohexanoic acid
SMILESO=C(O)C(=O)CC(=O)[C@H](O)CO
InChIInChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h5,7,10H,1-2H2,(H,11,12)/t5-/m1/s1
InChIKeyVRNAGRDRIFLVDH-RXMQYKEDSA-N
XLogP-2.05
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

bis(5-methyl-2,4-dioxohexanoic acid);ruthenium
CID 155643554
2,3-dihydroxypropanoic acid
CID 175601105
tetrakis(2,3-dihydroxypropanoic acid);silane
CID 174191422
alumane;2,3-dihydroxypropanoic acid
CID 173322444
CID 131873477
CID 131873477
CID 158303129
CID 158303129
CID 156591905
CID 156591905
3,4-dihydroxy-2-methylidenebutanoic acid
CID 14312131
(2R)-2,3-dihydroxy-N-methylpropanamide
CID 89249819
(4S)-1,2,4,5-tetrahydroxypentan-3-one
CID 54455604
CID 158744301
CID 158744301
20,21-dihydroxy-19-oxohenicosanoic acid
CID 140974702

Frequently Asked Questions

What is the IUPAC name of (5R)-5,6-dihydroxy-2,4-dioxohexanoic acid?
The IUPAC name of (5R)-5,6-dihydroxy-2,4-dioxohexanoic acid (CID 90984317) is (5R)-5,6-dihydroxy-2,4-dioxohexanoic acid.
What is the SMILES notation for (5R)-5,6-dihydroxy-2,4-dioxohexanoic acid?
The canonical SMILES for (5R)-5,6-dihydroxy-2,4-dioxohexanoic acid is O=C(O)C(=O)CC(=O)[C@H](O)CO.
What is the InChIKey of (5R)-5,6-dihydroxy-2,4-dioxohexanoic acid?
The InChIKey is VRNAGRDRIFLVDH-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h5,7,10H,1-2H2,(H,11,12)/t5-/m1/s1.
What are the key properties of (5R)-5,6-dihydroxy-2,4-dioxohexanoic acid?
(5R)-5,6-dihydroxy-2,4-dioxohexanoic acid has a molecular weight of 176.12 g/mol, XLogP of -2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5,6-dihydroxy-2,4-dioxohexanoic acid is sourced from PubChem (CID 90984317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).