dimethyl hydrogen phosphate;methyl dihydrogen phosphate

C3H12O8P2 — CID 44630430

IUPACdimethyl hydrogen phosphate;methyl dihydrogen phosphate
SMILESCOP(=O)(O)O.COP(=O)(O)OC
InChIInChI=1S/C2H7O4P.CH5O4P/c1-5-7(3,4)6-2;1-5-6(2,3)4/h1-2H3,(H,3,4);1H3,(H2,2,3,4)
InChIKeyTXEDBPFZRNBYGP-UHFFFAOYSA-N
MW238.07 g/mol
LogP0.11
Rot. Bonds3

About dimethyl hydrogen phosphate;methyl dihydrogen phosphate

dimethyl hydrogen phosphate;methyl dihydrogen phosphate (PubChem CID 44630430) has the molecular formula C3H12O8P2 and a molecular weight of 238.07 g/mol. Its IUPAC name is dimethyl hydrogen phosphate;methyl dihydrogen phosphate.

Molecular Properties

Compound Namedimethyl hydrogen phosphate;methyl dihydrogen phosphate
PubChem CID44630430
Molecular FormulaC3H12O8P2
Molecular Weight238.07 g/mol
Exact Mass238.00
IUPAC Namedimethyl hydrogen phosphate;methyl dihydrogen phosphate
SMILESCOP(=O)(O)O.COP(=O)(O)OC
InChIInChI=1S/C2H7O4P.CH5O4P/c1-5-7(3,4)6-2;1-5-6(2,3)4/h1-2H3,(H,3,4);1H3,(H2,2,3,4)
InChIKeyTXEDBPFZRNBYGP-UHFFFAOYSA-N
XLogP0.11
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 50.11
H-Bond Donors ≤ 53
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 dimethyl hydrogen phosphate;methyl dihydrogen phosphate?
The IUPAC name of dimethyl hydrogen phosphate;methyl dihydrogen phosphate (CID 44630430) is dimethyl hydrogen phosphate;methyl dihydrogen phosphate.
What is the SMILES notation for dimethyl hydrogen phosphate;methyl dihydrogen phosphate?
The canonical SMILES for dimethyl hydrogen phosphate;methyl dihydrogen phosphate is COP(=O)(O)O.COP(=O)(O)OC.
What is the InChIKey of dimethyl hydrogen phosphate;methyl dihydrogen phosphate?
The InChIKey is TXEDBPFZRNBYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O4P.CH5O4P/c1-5-7(3,4)6-2;1-5-6(2,3)4/h1-2H3,(H,3,4);1H3,(H2,2,3,4).
What are the key properties of dimethyl hydrogen phosphate;methyl dihydrogen phosphate?
dimethyl hydrogen phosphate;methyl dihydrogen phosphate has a molecular weight of 238.07 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl hydrogen phosphate;methyl dihydrogen phosphate is sourced from PubChem (CID 44630430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).