(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol

C6H12O5 — CID 10964847

IUPAC(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
SMILESOC1[C@@H](O)[C@@H](O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3+,4-,5+,6?
InChIKeyIMPKVMRTXBRHRB-VJTZZWJDSA-N
MW164.16 g/mol
LogP-2.81
Rot. Bonds

About (1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol

(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol (PubChem CID 10964847) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
PubChem CID10964847
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
SMILESOC1[C@@H](O)[C@@H](O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3+,4-,5+,6?
InChIKeyIMPKVMRTXBRHRB-VJTZZWJDSA-N
XLogP-2.81
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-2.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol?
The IUPAC name of (1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol (CID 10964847) is (1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol.
What is the SMILES notation for (1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol?
The canonical SMILES for (1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol is OC1[C@@H](O)[C@@H](O)C[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol?
The InChIKey is IMPKVMRTXBRHRB-VJTZZWJDSA-N. The full InChI is InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3+,4-,5+,6?.
What are the key properties of (1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol?
(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol has a molecular weight of 164.16 g/mol, XLogP of -2.81, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 10964847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).