methyl dihydrogen phosphate;phosphoric acid

CH8O8P2 — CID 22508293

IUPACmethyl dihydrogen phosphate;phosphoric acid
SMILESCOP(=O)(O)O.O=P(O)(O)O
InChIInChI=1S/CH5O4P.H3O4P/c1-5-6(2,3)4;1-5(2,3)4/h1H3,(H2,2,3,4);(H3,1,2,3,4)
InChIKeyQUJDVTWFFPPWOO-UHFFFAOYSA-N
MW210.01 g/mol
LogP-1.20
Rot. Bonds1

About methyl dihydrogen phosphate;phosphoric acid

methyl dihydrogen phosphate;phosphoric acid (PubChem CID 22508293) has the molecular formula CH8O8P2 and a molecular weight of 210.01 g/mol. Its IUPAC name is methyl dihydrogen phosphate;phosphoric acid.

Molecular Properties

Compound Namemethyl dihydrogen phosphate;phosphoric acid
PubChem CID22508293
Molecular FormulaCH8O8P2
Molecular Weight210.01 g/mol
Exact Mass209.97
IUPAC Namemethyl dihydrogen phosphate;phosphoric acid
SMILESCOP(=O)(O)O.O=P(O)(O)O
InChIInChI=1S/CH5O4P.H3O4P/c1-5-6(2,3)4;1-5(2,3)4/h1H3,(H2,2,3,4);(H3,1,2,3,4)
InChIKeyQUJDVTWFFPPWOO-UHFFFAOYSA-N
XLogP-1.20
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.01
LogP ≤ 5-1.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl dihydrogen phosphate;phosphoric acid?
The IUPAC name of methyl dihydrogen phosphate;phosphoric acid (CID 22508293) is methyl dihydrogen phosphate;phosphoric acid.
What is the SMILES notation for methyl dihydrogen phosphate;phosphoric acid?
The canonical SMILES for methyl dihydrogen phosphate;phosphoric acid is COP(=O)(O)O.O=P(O)(O)O.
What is the InChIKey of methyl dihydrogen phosphate;phosphoric acid?
The InChIKey is QUJDVTWFFPPWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5O4P.H3O4P/c1-5-6(2,3)4;1-5(2,3)4/h1H3,(H2,2,3,4);(H3,1,2,3,4).
What are the key properties of methyl dihydrogen phosphate;phosphoric acid?
methyl dihydrogen phosphate;phosphoric acid has a molecular weight of 210.01 g/mol, XLogP of -1.20, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl dihydrogen phosphate;phosphoric acid is sourced from PubChem (CID 22508293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).