4-hydroxy-6-methoxyoxane-2-carboxylic acid

C7H12O5 — CID 123154768

IUPAC4-hydroxy-6-methoxyoxane-2-carboxylic acid
SMILESCOC1CC(O)CC(C(=O)O)O1
InChIInChI=1S/C7H12O5/c1-11-6-3-4(8)2-5(12-6)7(9)10/h4-6,8H,2-3H2,1H3,(H,9,10)
InChIKeyDSUIKVZNSLEAEK-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.42
Rot. Bonds2

About 4-hydroxy-6-methoxyoxane-2-carboxylic acid

4-hydroxy-6-methoxyoxane-2-carboxylic acid (PubChem CID 123154768) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-hydroxy-6-methoxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-6-methoxyoxane-2-carboxylic acid
PubChem CID123154768
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name4-hydroxy-6-methoxyoxane-2-carboxylic acid
SMILESCOC1CC(O)CC(C(=O)O)O1
InChIInChI=1S/C7H12O5/c1-11-6-3-4(8)2-5(12-6)7(9)10/h4-6,8H,2-3H2,1H3,(H,9,10)
InChIKeyDSUIKVZNSLEAEK-UHFFFAOYSA-N
XLogP-0.42
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pectin
CID 441476
D-Glucuronic Acid
CID 94715
Lactobionic Acid
CID 7314
alpha-D-GALACTURONIC ACID
CID 445929
D-Galacturonic Acid
CID 439215
beta-D-glucopyranuronic acid
CID 441478
Ethyl beta-D-glucuronide
CID 18392195
alpha-D-Glucuronic acid
CID 444791
4-O-methyl-alpha-D-glucuronic acid
CID 445994
Daumone
CID 11471380
beta-D-Glucuronate
CID 11877136
Ascaroside C6
CID 16066475

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methoxyoxane-2-carboxylic acid?
The IUPAC name of 4-hydroxy-6-methoxyoxane-2-carboxylic acid (CID 123154768) is 4-hydroxy-6-methoxyoxane-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-6-methoxyoxane-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-6-methoxyoxane-2-carboxylic acid is COC1CC(O)CC(C(=O)O)O1.
What is the InChIKey of 4-hydroxy-6-methoxyoxane-2-carboxylic acid?
The InChIKey is DSUIKVZNSLEAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c1-11-6-3-4(8)2-5(12-6)7(9)10/h4-6,8H,2-3H2,1H3,(H,9,10).
What are the key properties of 4-hydroxy-6-methoxyoxane-2-carboxylic acid?
4-hydroxy-6-methoxyoxane-2-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methoxyoxane-2-carboxylic acid is sourced from PubChem (CID 123154768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).