2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid

C8H14O8 — CID 22399558

IUPAC2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid
SMILESCOCC(O)(C(=O)O)C(O)(COC)C(=O)O
InChIInChI=1S/C8H14O8/c1-15-3-7(13,5(9)10)8(14,4-16-2)6(11)12/h13-14H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyPSGKNGWFPBSERY-UHFFFAOYSA-N
MW238.19 g/mol
LogP-2.09
Rot. Bonds7

About 2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid

2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid (PubChem CID 22399558) has the molecular formula C8H14O8 and a molecular weight of 238.19 g/mol. Its IUPAC name is 2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid.

Molecular Properties

Compound Name2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid
PubChem CID22399558
Molecular FormulaC8H14O8
Molecular Weight238.19 g/mol
Exact Mass238.07
IUPAC Name2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid
SMILESCOCC(O)(C(=O)O)C(O)(COC)C(=O)O
InChIInChI=1S/C8H14O8/c1-15-3-7(13,5(9)10)8(14,4-16-2)6(11)12/h13-14H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyPSGKNGWFPBSERY-UHFFFAOYSA-N
XLogP-2.09
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-2-(methoxymethyl)propanedioic acid
CID 56990519
2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid
CID 141336269
2-[[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-(2-carboxy-3-methoxy-2-methylpropyl)peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxymethyl]-3-methoxy-2-methylpropanoic acid
CID 58114775
2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid
CID 174849026
2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-(methoxymethyl)butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]-2-(methoxymethyl)butanoic acid
CID 162457918
2-(methoxymethyl)-2-methylpentanoic acid
CID 23056513
trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid
CID 173461711
2,4-diamino-2-(methoxymethyl)butanoic acid
CID 19800437
2-cyclopropyl-2,3-dimethoxypropanoic acid
CID 116769537
2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid
CID 86184670
2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid
CID 83694809
N-methoxymethanamine;2,2,2-trifluoroacetic acid
CID 86135706

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid?
The IUPAC name of 2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid (CID 22399558) is 2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid.
What is the SMILES notation for 2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid?
The canonical SMILES for 2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid is COCC(O)(C(=O)O)C(O)(COC)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid?
The InChIKey is PSGKNGWFPBSERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O8/c1-15-3-7(13,5(9)10)8(14,4-16-2)6(11)12/h13-14H,3-4H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid?
2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid has a molecular weight of 238.19 g/mol, XLogP of -2.09, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid is sourced from PubChem (CID 22399558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).