(1-dimethoxyphosphoryl-1,2-dihydroxyethyl)phosphonic acid

C4H12O8P2 — CID 54221090

IUPAC(1-dimethoxyphosphoryl-1,2-dihydroxyethyl)phosphonic acid
SMILESCOP(=O)(OC)C(O)(CO)P(=O)(O)O
InChIInChI=1S/C4H12O8P2/c1-11-14(10,12-2)4(6,3-5)13(7,8)9/h5-6H,3H2,1-2H3,(H2,7,8,9)
InChIKeyQCQQBPSFMMILOV-UHFFFAOYSA-N
MW250.08 g/mol
LogP-0.71
Rot. Bonds5

About (1-dimethoxyphosphoryl-1,2-dihydroxyethyl)phosphonic acid

(1-dimethoxyphosphoryl-1,2-dihydroxyethyl)phosphonic acid (PubChem CID 54221090) has the molecular formula C4H12O8P2 and a molecular weight of 250.08 g/mol. Its IUPAC name is (1-dimethoxyphosphoryl-1,2-dihydroxyethyl)phosphonic acid.

Molecular Properties

Compound Name(1-dimethoxyphosphoryl-1,2-dihydroxyethyl)phosphonic acid
PubChem CID54221090
Molecular FormulaC4H12O8P2
Molecular Weight250.08 g/mol
Exact Mass250.00
IUPAC Name(1-dimethoxyphosphoryl-1,2-dihydroxyethyl)phosphonic acid
SMILESCOP(=O)(OC)C(O)(CO)P(=O)(O)O
InChIInChI=1S/C4H12O8P2/c1-11-14(10,12-2)4(6,3-5)13(7,8)9/h5-6H,3H2,1-2H3,(H2,7,8,9)
InChIKeyQCQQBPSFMMILOV-UHFFFAOYSA-N
XLogP-0.71
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-hydroxy-2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phosphonoethyl]phosphonic acid
CID 88540379
[3-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]propyl]phosphonic acid
CID 139914990
carbanylium;methyl dihydrogen phosphate
CID 165007935
cobalt;methyl dihydrogen phosphate;nickel
CID 175031346
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
dipotassium;hydride;methyl dihydrogen phosphate
CID 174980148
[2-(dimethylamino)-1-hydroxy-1-phosphonoethyl]phosphonic acid
CID 10955930
(2-hydroxy-2,2-diphosphonoethyl)-dimethylsulfanium
CID 16750060
ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid
CID 162206462
2,2-bis(hydroxymethyl)propane-1,3-diol;dimethyl phosphono phosphate
CID 87840038
[1-[aminooxy(hydroxy)phosphoryl]-1-hydroxypropyl]phosphonic acid
CID 88638085
[dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid
CID 10438081

Frequently Asked Questions

What is the IUPAC name of (1-dimethoxyphosphoryl-1,2-dihydroxyethyl)phosphonic acid?
The IUPAC name of (1-dimethoxyphosphoryl-1,2-dihydroxyethyl)phosphonic acid (CID 54221090) is (1-dimethoxyphosphoryl-1,2-dihydroxyethyl)phosphonic acid.
What is the SMILES notation for (1-dimethoxyphosphoryl-1,2-dihydroxyethyl)phosphonic acid?
The canonical SMILES for (1-dimethoxyphosphoryl-1,2-dihydroxyethyl)phosphonic acid is COP(=O)(OC)C(O)(CO)P(=O)(O)O.
What is the InChIKey of (1-dimethoxyphosphoryl-1,2-dihydroxyethyl)phosphonic acid?
The InChIKey is QCQQBPSFMMILOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O8P2/c1-11-14(10,12-2)4(6,3-5)13(7,8)9/h5-6H,3H2,1-2H3,(H2,7,8,9).
What are the key properties of (1-dimethoxyphosphoryl-1,2-dihydroxyethyl)phosphonic acid?
(1-dimethoxyphosphoryl-1,2-dihydroxyethyl)phosphonic acid has a molecular weight of 250.08 g/mol, XLogP of -0.71, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dimethoxyphosphoryl-1,2-dihydroxyethyl)phosphonic acid is sourced from PubChem (CID 54221090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).