(hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate

CH5O5P3-2 — CID 160598126

IUPAC(hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate
SMILES[H]P=P([O-])(O)OP(C)(=O)[O-]
InChIInChI=1S/CH6O5P3/c1-8(2,3)6-9(4,5)7/h7H,1H3,(H2-,2,3,4,5)/q-1/p-1
InChIKeyRDXHZMKLOGDAHH-UHFFFAOYSA-M
MW189.97 g/mol
LogP-0.64
Rot. Bonds2

About (hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate

(hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate (PubChem CID 160598126) has the molecular formula CH5O5P3-2 and a molecular weight of 189.97 g/mol. Its IUPAC name is (hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate.

Molecular Properties

Compound Name(hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate
PubChem CID160598126
Molecular FormulaCH5O5P3-2
Molecular Weight189.97 g/mol
Exact Mass189.94
IUPAC Name(hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate
SMILES[H]P=P([O-])(O)OP(C)(=O)[O-]
InChIInChI=1S/CH6O5P3/c1-8(2,3)6-9(4,5)7/h7H,1H3,(H2-,2,3,4,5)/q-1/p-1
InChIKeyRDXHZMKLOGDAHH-UHFFFAOYSA-M
XLogP-0.64
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.97
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy(oxido)phosphoryl]oxy-methylphosphinate
CID 20587792
disodium;ethane;phosphono phosphate
CID 19985246
dimethylphosphinate;methoxy(methyl)phosphinate
CID 161267325
trisodium;hydrogen phosphate;methanolate
CID 174908769
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
phosphono phosphate
CID 57345951
disodium;iron(2+);phosphonato phosphate;phosphoric acid
CID 175805156
hafnium;hydrogen phosphate
CID 160536753
methylphosphonic acid;uranium
CID 174844261
bis(dimethylphosphinic acid);platinum
CID 58918492
hexakis(dihydrogen phosphate);molybdenum
CID 18504359
calcium methyl-dioxido-oxo-λ5-phosphane
CID 59434200

Frequently Asked Questions

What is the IUPAC name of (hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate?
The IUPAC name of (hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate (CID 160598126) is (hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate.
What is the SMILES notation for (hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate?
The canonical SMILES for (hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate is [H]P=P([O-])(O)OP(C)(=O)[O-].
What is the InChIKey of (hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate?
The InChIKey is RDXHZMKLOGDAHH-UHFFFAOYSA-M. The full InChI is InChI=1S/CH6O5P3/c1-8(2,3)6-9(4,5)7/h7H,1H3,(H2-,2,3,4,5)/q-1/p-1.
What are the key properties of (hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate?
(hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate has a molecular weight of 189.97 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (hydroxy-oxido-phosphanylidene-λ5-phosphanyl)oxy-methylphosphinate is sourced from PubChem (CID 160598126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).