2,5-dihydroxy-4-methoxyheptanoic acid

C8H16O5 — CID 123246197

IUPAC2,5-dihydroxy-4-methoxyheptanoic acid
SMILESCCC(O)C(CC(O)C(=O)O)OC
InChIInChI=1S/C8H16O5/c1-3-5(9)7(13-2)4-6(10)8(11)12/h5-7,9-10H,3-4H2,1-2H3,(H,11,12)
InChIKeyXELZNYZDNCPDDZ-UHFFFAOYSA-N
MW192.21 g/mol
LogP-0.39
Rot. Bonds6

About 2,5-dihydroxy-4-methoxyheptanoic acid

2,5-dihydroxy-4-methoxyheptanoic acid (PubChem CID 123246197) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2,5-dihydroxy-4-methoxyheptanoic acid.

Molecular Properties

Compound Name2,5-dihydroxy-4-methoxyheptanoic acid
PubChem CID123246197
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name2,5-dihydroxy-4-methoxyheptanoic acid
SMILESCCC(O)C(CC(O)C(=O)O)OC
InChIInChI=1S/C8H16O5/c1-3-5(9)7(13-2)4-6(10)8(11)12/h5-7,9-10H,3-4H2,1-2H3,(H,11,12)
InChIKeyXELZNYZDNCPDDZ-UHFFFAOYSA-N
XLogP-0.39
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,5-dihydroxy-4-methoxyheptanoic acid 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

Calcium glucoheptonate
CID 62859
2,3-Dihydroxypropyl 5-hydroxydodecanoate
CID 175553
2,3-Dihydroxypropyl 5-hydroxydecanoate
CID 5463954
D-Glucoheptono-1,4-lactone
CID 108880
3-Deoxy-arabino-hexonic acid
CID 152990
D-glycero-D-gulo-heptonic acid
CID 25588
Calcium alpha-D-glucoheptonate
CID 28327
Zinc, bis[(2xi)-D-gluco-heptonato]-
CID 73357728
(2S,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
CID 10900194
Bis((2xi)-D-gluco-heptonato)iron
CID 73357735
Glucoheptanoic acid
CID 61888
bis(D-glycero-D-ido-heptonato)zinc
CID 109394

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-4-methoxyheptanoic acid?
The IUPAC name of 2,5-dihydroxy-4-methoxyheptanoic acid (CID 123246197) is 2,5-dihydroxy-4-methoxyheptanoic acid.
What is the SMILES notation for 2,5-dihydroxy-4-methoxyheptanoic acid?
The canonical SMILES for 2,5-dihydroxy-4-methoxyheptanoic acid is CCC(O)C(CC(O)C(=O)O)OC.
What is the InChIKey of 2,5-dihydroxy-4-methoxyheptanoic acid?
The InChIKey is XELZNYZDNCPDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5/c1-3-5(9)7(13-2)4-6(10)8(11)12/h5-7,9-10H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2,5-dihydroxy-4-methoxyheptanoic acid?
2,5-dihydroxy-4-methoxyheptanoic acid has a molecular weight of 192.21 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-4-methoxyheptanoic acid is sourced from PubChem (CID 123246197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).