bis[[hydroxy(oxido)phosphoryl]methyl]phosphinate

C2H6O8P3-3 — CID 3758106

IUPACbis[[hydroxy(oxido)phosphoryl]methyl]phosphinate
SMILESO=P([O-])(O)CP(=O)([O-])CP(=O)([O-])O
InChIInChI=1S/C2H9O8P3/c3-11(4,1-12(5,6)7)2-13(8,9)10/h1-2H2,(H,3,4)(H2,5,6,7)(H2,8,9,10)/p-3
InChIKeyPQIDUOAVCWPOLB-UHFFFAOYSA-K
MW250.98 g/mol
LogP-2.37
Rot. Bonds4

About bis[[hydroxy(oxido)phosphoryl]methyl]phosphinate

bis[[hydroxy(oxido)phosphoryl]methyl]phosphinate (PubChem CID 3758106) has the molecular formula C2H6O8P3-3 and a molecular weight of 250.98 g/mol. Its IUPAC name is bis[[hydroxy(oxido)phosphoryl]methyl]phosphinate.

Molecular Properties

Compound Namebis[[hydroxy(oxido)phosphoryl]methyl]phosphinate
PubChem CID3758106
Molecular FormulaC2H6O8P3-3
Molecular Weight250.98 g/mol
Exact Mass250.93
IUPAC Namebis[[hydroxy(oxido)phosphoryl]methyl]phosphinate
SMILESO=P([O-])(O)CP(=O)([O-])CP(=O)([O-])O
InChIInChI=1S/C2H9O8P3/c3-11(4,1-12(5,6)7)2-13(8,9)10/h1-2H2,(H,3,4)(H2,5,6,7)(H2,8,9,10)/p-3
InChIKeyPQIDUOAVCWPOLB-UHFFFAOYSA-K
XLogP-2.37
TPSA160.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.98
LogP ≤ 5-2.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

phosphonatomethylphosphonic acid
CID 136758999
hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium
CID 139063738
hydroxy-[[hydroxy(oxido)phosphoryl]methyl]phosphinate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 11225437
sodium dihydroxy(32P)phosphinate
CID 23694678
hydrogen phosphate;bis(lutetium(3+))
CID 159566068
dizinc;tetrakis(dihydrogen phosphate)
CID 161370337
tetrakis(dihydrogen phosphate);zirconium(4+)
CID 22328152
bis(chromium(3+));hydrogen phosphate
CID 19708255
tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))
CID 139063709
zinc bis(dihydrogen phosphate)
CID 11253952
hafnium;hydrogen phosphate
CID 160536753
hexakis(dihydrogen phosphate);molybdenum
CID 18504359

Frequently Asked Questions

What is the IUPAC name of bis[[hydroxy(oxido)phosphoryl]methyl]phosphinate?
The IUPAC name of bis[[hydroxy(oxido)phosphoryl]methyl]phosphinate (CID 3758106) is bis[[hydroxy(oxido)phosphoryl]methyl]phosphinate.
What is the SMILES notation for bis[[hydroxy(oxido)phosphoryl]methyl]phosphinate?
The canonical SMILES for bis[[hydroxy(oxido)phosphoryl]methyl]phosphinate is O=P([O-])(O)CP(=O)([O-])CP(=O)([O-])O.
What is the InChIKey of bis[[hydroxy(oxido)phosphoryl]methyl]phosphinate?
The InChIKey is PQIDUOAVCWPOLB-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H9O8P3/c3-11(4,1-12(5,6)7)2-13(8,9)10/h1-2H2,(H,3,4)(H2,5,6,7)(H2,8,9,10)/p-3.
What are the key properties of bis[[hydroxy(oxido)phosphoryl]methyl]phosphinate?
bis[[hydroxy(oxido)phosphoryl]methyl]phosphinate has a molecular weight of 250.98 g/mol, XLogP of -2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[hydroxy(oxido)phosphoryl]methyl]phosphinate is sourced from PubChem (CID 3758106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).