(1-hydroxy-1-phosphonoethyl)phosphonic acid

C2H8O7P2 — CID 3305

IUPAC(1-hydroxy-1-phosphonoethyl)phosphonic acid
SMILESCC(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
InChIKeyDBVJJBKOTRCVKF-UHFFFAOYSA-N
MW206.03 g/mol
LogP-0.99
Rot. Bonds2

About (1-hydroxy-1-phosphonoethyl)phosphonic acid

(1-hydroxy-1-phosphonoethyl)phosphonic acid (PubChem CID 3305) has the molecular formula C2H8O7P2 and a molecular weight of 206.03 g/mol. Its IUPAC name is (1-hydroxy-1-phosphonoethyl)phosphonic acid.

Molecular Properties

Compound Name(1-hydroxy-1-phosphonoethyl)phosphonic acid
PubChem CID3305
Molecular FormulaC2H8O7P2
Molecular Weight206.03 g/mol
Exact Mass205.97
IUPAC Name(1-hydroxy-1-phosphonoethyl)phosphonic acid
SMILESCC(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
InChIKeyDBVJJBKOTRCVKF-UHFFFAOYSA-N
XLogP-0.99
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 5-0.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Etidronate Disodium
CID 23894
Tetrasodium Etidronate
CID 19629
Tetrapotassium Etidronate
CID 26938
Etidronic acid monohydrate
CID 12521030
Trisodium etidronate
CID 17572
Dipotassium etidronate
CID 88790
Tripotassium etidronate
CID 108931
(1-hydroxyethylidene)bisphosphonic acid, sodium salt
CID 6335946
Technetium Tc-99m etidronate
CID 123827
Yzpovjaahmuimk-uhfffaoysa-
CID 23422034
Monosodium etidronate
CID 23687324
Phosphonic acid, (1-hydroxypropylidene)bis-
CID 182625

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-1-phosphonoethyl)phosphonic acid?
The IUPAC name of (1-hydroxy-1-phosphonoethyl)phosphonic acid (CID 3305) is (1-hydroxy-1-phosphonoethyl)phosphonic acid.
What is the SMILES notation for (1-hydroxy-1-phosphonoethyl)phosphonic acid?
The canonical SMILES for (1-hydroxy-1-phosphonoethyl)phosphonic acid is CC(O)(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of (1-hydroxy-1-phosphonoethyl)phosphonic acid?
The InChIKey is DBVJJBKOTRCVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9).
What are the key properties of (1-hydroxy-1-phosphonoethyl)phosphonic acid?
(1-hydroxy-1-phosphonoethyl)phosphonic acid has a molecular weight of 206.03 g/mol, XLogP of -0.99, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-1-phosphonoethyl)phosphonic acid is sourced from PubChem (CID 3305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).