(5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid

C8H8O6 — CID 25245055

IUPAC(5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)[C@@H](O)[C@@H](O)C=C1
InChIInChI=1S/C8H8O6/c9-4-2-1-3(7(11)12)5(6(4)10)8(13)14/h1-2,4,6,9-10H,(H,11,12)(H,13,14)/t4-,6-/m0/s1
InChIKeySBNAJYFFJXNDIG-NJGYIYPDSA-N
MW200.15 g/mol
LogP-1.26
Rot. Bonds2

About (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid

(5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid (PubChem CID 25245055) has the molecular formula C8H8O6 and a molecular weight of 200.15 g/mol. Its IUPAC name is (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid
PubChem CID25245055
Molecular FormulaC8H8O6
Molecular Weight200.15 g/mol
Exact Mass200.03
IUPAC Name(5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)[C@@H](O)[C@@H](O)C=C1
InChIInChI=1S/C8H8O6/c9-4-2-1-3(7(11)12)5(6(4)10)8(13)14/h1-2,4,6,9-10H,(H,11,12)(H,13,14)/t4-,6-/m0/s1
InChIKeySBNAJYFFJXNDIG-NJGYIYPDSA-N
XLogP-1.26
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid?
The IUPAC name of (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid (CID 25245055) is (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid.
What is the SMILES notation for (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid?
The canonical SMILES for (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid is O=C(O)C1=C(C(=O)O)[C@@H](O)[C@@H](O)C=C1.
What is the InChIKey of (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid?
The InChIKey is SBNAJYFFJXNDIG-NJGYIYPDSA-N. The full InChI is InChI=1S/C8H8O6/c9-4-2-1-3(7(11)12)5(6(4)10)8(13)14/h1-2,4,6,9-10H,(H,11,12)(H,13,14)/t4-,6-/m0/s1.
What are the key properties of (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid?
(5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid has a molecular weight of 200.15 g/mol, XLogP of -1.26, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid is sourced from PubChem (CID 25245055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).