diethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate

C10H21O5P — CID 177390470

IUPACdiethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate
SMILESCCOP(=O)(OCC)O[C@H]1CCCC[C@H]1O
InChIInChI=1S/C10H21O5P/c1-3-13-16(12,14-4-2)15-10-8-6-5-7-9(10)11/h9-11H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyPASDKOAOTTUDIY-ZJUUUORDSA-N
MW252.25 g/mol
LogP2.49
Rot. Bonds6

About diethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate

diethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate (PubChem CID 177390470) has the molecular formula C10H21O5P and a molecular weight of 252.25 g/mol. Its IUPAC name is diethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate.

Molecular Properties

Compound Namediethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate
PubChem CID177390470
Molecular FormulaC10H21O5P
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Namediethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate
SMILESCCOP(=O)(OCC)O[C@H]1CCCC[C@H]1O
InChIInChI=1S/C10H21O5P/c1-3-13-16(12,14-4-2)15-10-8-6-5-7-9(10)11/h9-11H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyPASDKOAOTTUDIY-ZJUUUORDSA-N
XLogP2.49
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate?
The IUPAC name of diethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate (CID 177390470) is diethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate.
What is the SMILES notation for diethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate?
The canonical SMILES for diethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate is CCOP(=O)(OCC)O[C@H]1CCCC[C@H]1O.
What is the InChIKey of diethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate?
The InChIKey is PASDKOAOTTUDIY-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H21O5P/c1-3-13-16(12,14-4-2)15-10-8-6-5-7-9(10)11/h9-11H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of diethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate?
diethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate has a molecular weight of 252.25 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate is sourced from PubChem (CID 177390470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).