methyl dihydrogen phosphate

C2H10O8P2 — CID 160555732

IUPACmethyl dihydrogen phosphate
SMILESCOP(=O)(O)O.COP(=O)(O)O
InChIInChI=1S/2CH5O4P/c2*1-5-6(2,3)4/h2*1H3,(H2,2,3,4)
InChIKeyQYQRNKAKVJOLKF-UHFFFAOYSA-N
MW224.04 g/mol
LogP-0.55
Rot. Bonds2

About methyl dihydrogen phosphate

methyl dihydrogen phosphate (PubChem CID 160555732) has the molecular formula C2H10O8P2 and a molecular weight of 224.04 g/mol. Its IUPAC name is methyl dihydrogen phosphate.

Molecular Properties

Compound Namemethyl dihydrogen phosphate
PubChem CID160555732
Molecular FormulaC2H10O8P2
Molecular Weight224.04 g/mol
Exact Mass223.99
IUPAC Namemethyl dihydrogen phosphate
SMILESCOP(=O)(O)O.COP(=O)(O)O
InChIInChI=1S/2CH5O4P/c2*1-5-6(2,3)4/h2*1H3,(H2,2,3,4)
InChIKeyQYQRNKAKVJOLKF-UHFFFAOYSA-N
XLogP-0.55
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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?
The IUPAC name of methyl dihydrogen phosphate (CID 160555732) is methyl dihydrogen phosphate.
What is the SMILES notation for methyl dihydrogen phosphate?
The canonical SMILES for methyl dihydrogen phosphate is COP(=O)(O)O.COP(=O)(O)O.
What is the InChIKey of methyl dihydrogen phosphate?
The InChIKey is QYQRNKAKVJOLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH5O4P/c2*1-5-6(2,3)4/h2*1H3,(H2,2,3,4).
What are the key properties of methyl dihydrogen phosphate?
methyl dihydrogen phosphate has a molecular weight of 224.04 g/mol, XLogP of -0.55, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl dihydrogen phosphate is sourced from PubChem (CID 160555732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).