(2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol

C6H13O6P — CID 68860724

IUPAC(2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol
SMILESOC1[C@@H](O)[C@@H](O)C(O)(P)[C@H](O)[C@H]1O
InChIInChI=1S/C6H13O6P/c7-1-2(8)4(10)6(12,13)5(11)3(1)9/h1-5,7-12H,13H2/t1?,2-,3+,4-,5-,6?/m1/s1
InChIKeyVEHKXBDIKVQEIM-GCVPSNMTSA-N
MW212.14 g/mol
LogP-3.63
Rot. Bonds

About (2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol

(2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol (PubChem CID 68860724) has the molecular formula C6H13O6P and a molecular weight of 212.14 g/mol. Its IUPAC name is (2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol
PubChem CID68860724
Molecular FormulaC6H13O6P
Molecular Weight212.14 g/mol
Exact Mass212.04
IUPAC Name(2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol
SMILESOC1[C@@H](O)[C@@H](O)C(O)(P)[C@H](O)[C@H]1O
InChIInChI=1S/C6H13O6P/c7-1-2(8)4(10)6(12,13)5(11)3(1)9/h1-5,7-12H,13H2/t1?,2-,3+,4-,5-,6?/m1/s1
InChIKeyVEHKXBDIKVQEIM-GCVPSNMTSA-N
XLogP-3.63
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.14
LogP ≤ 5-3.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol?
The IUPAC name of (2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol (CID 68860724) is (2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol is OC1[C@@H](O)[C@@H](O)C(O)(P)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol?
The InChIKey is VEHKXBDIKVQEIM-GCVPSNMTSA-N. The full InChI is InChI=1S/C6H13O6P/c7-1-2(8)4(10)6(12,13)5(11)3(1)9/h1-5,7-12H,13H2/t1?,2-,3+,4-,5-,6?/m1/s1.
What are the key properties of (2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol?
(2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol has a molecular weight of 212.14 g/mol, XLogP of -3.63, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 68860724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).