[methoxy(phosphono)methyl]phosphonic acid

C2H8O7P2 — CID 12578053

IUPAC[methoxy(phosphono)methyl]phosphonic acid
SMILESCOC(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C2H8O7P2/c1-9-2(10(3,4)5)11(6,7)8/h2H,1H3,(H2,3,4,5)(H2,6,7,8)
InChIKeyKLCWLKFYDSKYJD-UHFFFAOYSA-N
MW206.03 g/mol
LogP-0.73
Rot. Bonds3

About [methoxy(phosphono)methyl]phosphonic acid

[methoxy(phosphono)methyl]phosphonic acid (PubChem CID 12578053) has the molecular formula C2H8O7P2 and a molecular weight of 206.03 g/mol. Its IUPAC name is [methoxy(phosphono)methyl]phosphonic acid.

Molecular Properties

Compound Name[methoxy(phosphono)methyl]phosphonic acid
PubChem CID12578053
Molecular FormulaC2H8O7P2
Molecular Weight206.03 g/mol
Exact Mass205.97
IUPAC Name[methoxy(phosphono)methyl]phosphonic acid
SMILESCOC(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C2H8O7P2/c1-9-2(10(3,4)5)11(6,7)8/h2H,1H3,(H2,3,4,5)(H2,6,7,8)
InChIKeyKLCWLKFYDSKYJD-UHFFFAOYSA-N
XLogP-0.73
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-3-phosphonopropanoic acid
CID 88757253
carbanylium;methyl dihydrogen phosphate
CID 165007935
alumane;phosphanyl dihydrogen phosphate
CID 173370493
methyl hypochlorite;phosphoric acid
CID 175163315
5,5-dimethoxypent-2-enylphosphonic acid
CID 174637518
(3-ethyl-1-methoxy-2-oxopentyl)phosphonic acid
CID 87462837
tetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid)
CID 173412667
tris(dimethyl hydrogen phosphate);titanium
CID 131876605
cobalt;methyl dihydrogen phosphate;nickel
CID 175031346
fluoro(methoxy)phosphinic acid
CID 23235630
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
dipotassium;hydride;methyl dihydrogen phosphate
CID 174980148

Frequently Asked Questions

What is the IUPAC name of [methoxy(phosphono)methyl]phosphonic acid?
The IUPAC name of [methoxy(phosphono)methyl]phosphonic acid (CID 12578053) is [methoxy(phosphono)methyl]phosphonic acid.
What is the SMILES notation for [methoxy(phosphono)methyl]phosphonic acid?
The canonical SMILES for [methoxy(phosphono)methyl]phosphonic acid is COC(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of [methoxy(phosphono)methyl]phosphonic acid?
The InChIKey is KLCWLKFYDSKYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O7P2/c1-9-2(10(3,4)5)11(6,7)8/h2H,1H3,(H2,3,4,5)(H2,6,7,8).
What are the key properties of [methoxy(phosphono)methyl]phosphonic acid?
[methoxy(phosphono)methyl]phosphonic acid has a molecular weight of 206.03 g/mol, XLogP of -0.73, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(phosphono)methyl]phosphonic acid is sourced from PubChem (CID 12578053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).