ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid

C5H17O10P3 — CID 162206462

IUPACethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid
SMILESCCC(O)(P(=O)(O)O)P(=O)(O)O.CCP(=O)(O)O
InChIInChI=1S/C3H10O7P2.C2H7O3P/c1-2-3(4,11(5,6)7)12(8,9)10;1-2-6(3,4)5/h4H,2H2,1H3,(H2,5,6,7)(H2,8,9,10);2H2,1H3,(H2,3,4,5)
InChIKeyZSGIHCAQJORLBJ-UHFFFAOYSA-N
MW330.10 g/mol
LogP-0.42
Rot. Bonds4

About ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid

ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid (PubChem CID 162206462) has the molecular formula C5H17O10P3 and a molecular weight of 330.10 g/mol. Its IUPAC name is ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid.

Molecular Properties

Compound Nameethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid
PubChem CID162206462
Molecular FormulaC5H17O10P3
Molecular Weight330.10 g/mol
Exact Mass330.00
IUPAC Nameethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid
SMILESCCC(O)(P(=O)(O)O)P(=O)(O)O.CCP(=O)(O)O
InChIInChI=1S/C3H10O7P2.C2H7O3P/c1-2-3(4,11(5,6)7)12(8,9)10;1-2-6(3,4)5/h4H,2H2,1H3,(H2,5,6,7)(H2,8,9,10);2H2,1H3,(H2,3,4,5)
InChIKeyZSGIHCAQJORLBJ-UHFFFAOYSA-N
XLogP-0.42
TPSA192.82 Ų
H-Bond Donors7
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.10
LogP ≤ 5-0.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid
CID 133053613
ethylphosphonic acid;phosphoric acid
CID 87124135
ethylphosphonic acid;zirconium
CID 161117919
[1-[aminooxy(hydroxy)phosphoryl]-1-hydroxypropyl]phosphonic acid
CID 88638085
sodium;ethylphosphonic acid;hydride
CID 173023675
sodium;ethylphosphonic acid;hydride;hydrate
CID 174785976
(1-hydroxy-1-phosphonohenicosyl)phosphonic acid
CID 57218930
[2-(dimethylamino)-1-hydroxy-1-phosphonoethyl]phosphonic acid
CID 10955930
(2-hydroxy-2,2-diphosphonoethyl)-dimethylsulfanium
CID 16750060
N-ethylethanamine;ethylphosphonic acid
CID 174663902
2-hydroxy-2-phosphonobutanoic acid
CID 22117039
tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid)
CID 173412899

Frequently Asked Questions

What is the IUPAC name of ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid?
The IUPAC name of ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid (CID 162206462) is ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid.
What is the SMILES notation for ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid?
The canonical SMILES for ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid is CCC(O)(P(=O)(O)O)P(=O)(O)O.CCP(=O)(O)O.
What is the InChIKey of ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid?
The InChIKey is ZSGIHCAQJORLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O7P2.C2H7O3P/c1-2-3(4,11(5,6)7)12(8,9)10;1-2-6(3,4)5/h4H,2H2,1H3,(H2,5,6,7)(H2,8,9,10);2H2,1H3,(H2,3,4,5).
What are the key properties of ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid?
ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid has a molecular weight of 330.10 g/mol, XLogP of -0.42, 4 rotatable bonds, 7 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid is sourced from PubChem (CID 162206462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).