diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride

C6H20Cl2O8P2 — CID 173401897

IUPACdiethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride
SMILESCCOP(=O)(O)OCC.COP(=O)(O)OC.Cl.Cl
InChIInChI=1S/C4H11O4P.C2H7O4P.2ClH/c1-3-7-9(5,6)8-4-2;1-5-7(3,4)6-2;;/h3-4H2,1-2H3,(H,5,6);1-2H3,(H,3,4);2*1H
InChIKeyDYHYWZVOSYDPLE-UHFFFAOYSA-N
MW353.07 g/mol
LogP2.38
Rot. Bonds6

About diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride

diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride (PubChem CID 173401897) has the molecular formula C6H20Cl2O8P2 and a molecular weight of 353.07 g/mol. Its IUPAC name is diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride.

Molecular Properties

Compound Namediethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride
PubChem CID173401897
Molecular FormulaC6H20Cl2O8P2
Molecular Weight353.07 g/mol
Exact Mass352.00
IUPAC Namediethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride
SMILESCCOP(=O)(O)OCC.COP(=O)(O)OC.Cl.Cl
InChIInChI=1S/C4H11O4P.C2H7O4P.2ClH/c1-3-7-9(5,6)8-4-2;1-5-7(3,4)6-2;;/h3-4H2,1-2H3,(H,5,6);1-2H3,(H,3,4);2*1H
InChIKeyDYHYWZVOSYDPLE-UHFFFAOYSA-N
XLogP2.38
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.07
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride?
The IUPAC name of diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride (CID 173401897) is diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride.
What is the SMILES notation for diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride?
The canonical SMILES for diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride is CCOP(=O)(O)OCC.COP(=O)(O)OC.Cl.Cl.
What is the InChIKey of diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride?
The InChIKey is DYHYWZVOSYDPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O4P.C2H7O4P.2ClH/c1-3-7-9(5,6)8-4-2;1-5-7(3,4)6-2;;/h3-4H2,1-2H3,(H,5,6);1-2H3,(H,3,4);2*1H.
What are the key properties of diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride?
diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride has a molecular weight of 353.07 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride is sourced from PubChem (CID 173401897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).