(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol

C6H12O4 — CID 10855621

IUPAC(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol
SMILESO[C@H]1C[C@H](O)[C@@H](O)C[C@@H]1O
InChIInChI=1S/C6H12O4/c7-3-1-4(8)6(10)2-5(3)9/h3-10H,1-2H2/t3-,4-,5-,6-/m0/s1
InChIKeyRDIDGZFQASQXBU-BXKVDMCESA-N
MW148.16 g/mol
LogP-1.78
Rot. Bonds

About (1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol

(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol (PubChem CID 10855621) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol.

Molecular Properties

Compound Name(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol
PubChem CID10855621
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol
SMILESO[C@H]1C[C@H](O)[C@@H](O)C[C@@H]1O
InChIInChI=1S/C6H12O4/c7-3-1-4(8)6(10)2-5(3)9/h3-10H,1-2H2/t3-,4-,5-,6-/m0/s1
InChIKeyRDIDGZFQASQXBU-BXKVDMCESA-N
XLogP-1.78
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol?
The IUPAC name of (1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol (CID 10855621) is (1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol.
What is the SMILES notation for (1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol?
The canonical SMILES for (1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol is O[C@H]1C[C@H](O)[C@@H](O)C[C@@H]1O.
What is the InChIKey of (1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol?
The InChIKey is RDIDGZFQASQXBU-BXKVDMCESA-N. The full InChI is InChI=1S/C6H12O4/c7-3-1-4(8)6(10)2-5(3)9/h3-10H,1-2H2/t3-,4-,5-,6-/m0/s1.
What are the key properties of (1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol?
(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol has a molecular weight of 148.16 g/mol, XLogP of -1.78, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol is sourced from PubChem (CID 10855621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).