[hydroxy(oxido)phosphoryl]oxy-methylphosphinate

CH4O6P2-2 — CID 20587792

IUPAC[hydroxy(oxido)phosphoryl]oxy-methylphosphinate
SMILESCP(=O)([O-])OP(=O)([O-])O
InChIInChI=1S/CH6O6P2/c1-8(2,3)7-9(4,5)6/h1H3,(H,2,3)(H2,4,5,6)/p-2
InChIKeyCFUCRUQYBNJDOK-UHFFFAOYSA-L
MW173.98 g/mol
LogP-1.35
Rot. Bonds2

About [hydroxy(oxido)phosphoryl]oxy-methylphosphinate

[hydroxy(oxido)phosphoryl]oxy-methylphosphinate (PubChem CID 20587792) has the molecular formula CH4O6P2-2 and a molecular weight of 173.98 g/mol. Its IUPAC name is [hydroxy(oxido)phosphoryl]oxy-methylphosphinate.

Molecular Properties

Compound Name[hydroxy(oxido)phosphoryl]oxy-methylphosphinate
PubChem CID20587792
Molecular FormulaCH4O6P2-2
Molecular Weight173.98 g/mol
Exact Mass173.95
IUPAC Name[hydroxy(oxido)phosphoryl]oxy-methylphosphinate
SMILESCP(=O)([O-])OP(=O)([O-])O
InChIInChI=1S/CH6O6P2/c1-8(2,3)7-9(4,5)6/h1H3,(H,2,3)(H2,4,5,6)/p-2
InChIKeyCFUCRUQYBNJDOK-UHFFFAOYSA-L
XLogP-1.35
TPSA109.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.98
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate
CID 160598126
cesium phosphono hydrogen phosphate
CID 160778064
trisodium;[hydroxy(oxido)phosphoryl] phosphate;dodecahydrate
CID 158298234
disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate
CID 173017843
copper;phosphono hydrogen phosphate;chloride
CID 175231033
lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid
CID 174059070
sodium;azane;phosphono hydrogen phosphate;tetrahydrate
CID 174651313
potassium;sodium;phosphono hydrogen phosphate;acetate
CID 141113302
chromium(3+);[hydroxy(oxido)phosphoryl] phosphate;phosphono dihydrogen phosphate
CID 175898917
potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride
CID 174949441
[aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine
CID 159826830
[3-methylbut-3-enoxy(oxido)phosphoryl] hydrogen phosphate
CID 155617037

Frequently Asked Questions

What is the IUPAC name of [hydroxy(oxido)phosphoryl]oxy-methylphosphinate?
The IUPAC name of [hydroxy(oxido)phosphoryl]oxy-methylphosphinate (CID 20587792) is [hydroxy(oxido)phosphoryl]oxy-methylphosphinate.
What is the SMILES notation for [hydroxy(oxido)phosphoryl]oxy-methylphosphinate?
The canonical SMILES for [hydroxy(oxido)phosphoryl]oxy-methylphosphinate is CP(=O)([O-])OP(=O)([O-])O.
What is the InChIKey of [hydroxy(oxido)phosphoryl]oxy-methylphosphinate?
The InChIKey is CFUCRUQYBNJDOK-UHFFFAOYSA-L. The full InChI is InChI=1S/CH6O6P2/c1-8(2,3)7-9(4,5)6/h1H3,(H,2,3)(H2,4,5,6)/p-2.
What are the key properties of [hydroxy(oxido)phosphoryl]oxy-methylphosphinate?
[hydroxy(oxido)phosphoryl]oxy-methylphosphinate has a molecular weight of 173.98 g/mol, XLogP of -1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(oxido)phosphoryl]oxy-methylphosphinate is sourced from PubChem (CID 20587792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).