(5R)-5-hydroxy-2,6-dioxoheptanoic acid

C7H10O5 — CID 58060673

IUPAC(5R)-5-hydroxy-2,6-dioxoheptanoic acid
SMILESCC(=O)[C@H](O)CCC(=O)C(=O)O
InChIInChI=1S/C7H10O5/c1-4(8)5(9)2-3-6(10)7(11)12/h5,9H,2-3H2,1H3,(H,11,12)/t5-/m1/s1
InChIKeyCRZVSWKVLDRUSA-RXMQYKEDSA-N
MW174.15 g/mol
LogP-0.63
Rot. Bonds5

About (5R)-5-hydroxy-2,6-dioxoheptanoic acid

(5R)-5-hydroxy-2,6-dioxoheptanoic acid (PubChem CID 58060673) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is (5R)-5-hydroxy-2,6-dioxoheptanoic acid.

Molecular Properties

Compound Name(5R)-5-hydroxy-2,6-dioxoheptanoic acid
PubChem CID58060673
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name(5R)-5-hydroxy-2,6-dioxoheptanoic acid
SMILESCC(=O)[C@H](O)CCC(=O)C(=O)O
InChIInChI=1S/C7H10O5/c1-4(8)5(9)2-3-6(10)7(11)12/h5,9H,2-3H2,1H3,(H,11,12)/t5-/m1/s1
InChIKeyCRZVSWKVLDRUSA-RXMQYKEDSA-N
XLogP-0.63
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxyhexan-2-one
CID 15525237
5-chloro-2-oxohexanoic acid
CID 138753393
3-hydroxy-6-methyloctan-2-one
CID 87292065
3-hydroxydecan-2-one
CID 12524096
6-amino-2-oxoheptanoic acid
CID 87327623
4-bromo-3-hydroxybutan-2-one
CID 87260532
3-hydroxypentan-2-one;zinc
CID 174642767
2-oxopentanoic acid;dihydrochloride
CID 143025577
4-amino-3-hydroxybutan-2-one
CID 22025309
3-hydroxy-7-methylnonan-2-one
CID 87291437
5-hydroxy-6-methylhept-6-enoic acid
CID 22417308
2-[(4-hydroxy-5-oxohexyl)amino]pentanedioic acid
CID 175197750

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-2,6-dioxoheptanoic acid?
The IUPAC name of (5R)-5-hydroxy-2,6-dioxoheptanoic acid (CID 58060673) is (5R)-5-hydroxy-2,6-dioxoheptanoic acid.
What is the SMILES notation for (5R)-5-hydroxy-2,6-dioxoheptanoic acid?
The canonical SMILES for (5R)-5-hydroxy-2,6-dioxoheptanoic acid is CC(=O)[C@H](O)CCC(=O)C(=O)O.
What is the InChIKey of (5R)-5-hydroxy-2,6-dioxoheptanoic acid?
The InChIKey is CRZVSWKVLDRUSA-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10O5/c1-4(8)5(9)2-3-6(10)7(11)12/h5,9H,2-3H2,1H3,(H,11,12)/t5-/m1/s1.
What are the key properties of (5R)-5-hydroxy-2,6-dioxoheptanoic acid?
(5R)-5-hydroxy-2,6-dioxoheptanoic acid has a molecular weight of 174.15 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-2,6-dioxoheptanoic acid is sourced from PubChem (CID 58060673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).