trans-(5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrone

C6H4O6 — CID 92840158

IUPACtrans-(5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrone
SMILESO=C1C(=O)C(=O)[C@H](O)[C@@H](O)C1=O
InChIInChI=1S/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-2,7-8H/t1-,2-/m1/s1
InChIKeySLMIQMVBMZJQAX-JCYAYHJZSA-N
MW172.09 g/mol
LogP-3.00
Rot. Bonds

About trans-(5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrone

trans-(5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrone (PubChem CID 92840158) has the molecular formula C6H4O6 and a molecular weight of 172.09 g/mol. Its IUPAC name is trans-(5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrone.

Molecular Properties

Compound Nametrans-(5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrone
PubChem CID92840158
Molecular FormulaC6H4O6
Molecular Weight172.09 g/mol
Exact Mass172.00
IUPAC Nametrans-(5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrone
SMILESO=C1C(=O)C(=O)[C@H](O)[C@@H](O)C1=O
InChIInChI=1S/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-2,7-8H/t1-,2-/m1/s1
InChIKeySLMIQMVBMZJQAX-JCYAYHJZSA-N
XLogP-3.00
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.09
LogP ≤ 5-3.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrone?
The IUPAC name of trans-(5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrone (CID 92840158) is trans-(5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrone.
What is the SMILES notation for trans-(5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrone?
The canonical SMILES for trans-(5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrone is O=C1C(=O)C(=O)[C@H](O)[C@@H](O)C1=O.
What is the InChIKey of trans-(5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrone?
The InChIKey is SLMIQMVBMZJQAX-JCYAYHJZSA-N. The full InChI is InChI=1S/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-2,7-8H/t1-,2-/m1/s1.
What are the key properties of trans-(5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrone?
trans-(5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrone has a molecular weight of 172.09 g/mol, XLogP of -3.00, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrone is sourced from PubChem (CID 92840158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).