3,4-dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid

C10H18O6 — CID 129026124

IUPAC3,4-dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid
SMILESCOC1(C(=O)O)OC(C)CC(C)(O)C1(C)O
InChIInChI=1S/C10H18O6/c1-6-5-8(2,13)9(3,14)10(15-4,16-6)7(11)12/h6,13-14H,5H2,1-4H3,(H,11,12)
InChIKeyIEMPVLJJCVMUNP-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.28
Rot. Bonds2

About 3,4-dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid

3,4-dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid (PubChem CID 129026124) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3,4-dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid.

Molecular Properties

Compound Name3,4-dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid
PubChem CID129026124
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name3,4-dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid
SMILESCOC1(C(=O)O)OC(C)CC(C)(O)C1(C)O
InChIInChI=1S/C10H18O6/c1-6-5-8(2,13)9(3,14)10(15-4,16-6)7(11)12/h6,13-14H,5H2,1-4H3,(H,11,12)
InChIKeyIEMPVLJJCVMUNP-UHFFFAOYSA-N
XLogP-0.28
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid?
The IUPAC name of 3,4-dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid (CID 129026124) is 3,4-dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid.
What is the SMILES notation for 3,4-dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid?
The canonical SMILES for 3,4-dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid is COC1(C(=O)O)OC(C)CC(C)(O)C1(C)O.
What is the InChIKey of 3,4-dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid?
The InChIKey is IEMPVLJJCVMUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-6-5-8(2,13)9(3,14)10(15-4,16-6)7(11)12/h6,13-14H,5H2,1-4H3,(H,11,12).
What are the key properties of 3,4-dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid?
3,4-dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid is sourced from PubChem (CID 129026124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).