disodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid

C3H8Na2O7P2 — CID 133053613

IUPACdisodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid
SMILESCCC(O)(P(=O)([O-])[O-])P(=O)(O)O.[Na+].[Na+]
InChIInChI=1S/C3H10O7P2.2Na/c1-2-3(4,11(5,6)7)12(8,9)10;;/h4H,2H2,1H3,(H2,5,6,7)(H2,8,9,10);;/q;2*+1/p-2
InChIKeyLADOCNJXEJMFAS-UHFFFAOYSA-L
MW264.02 g/mol
LogP-7.86
Rot. Bonds3

About disodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid

disodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid (PubChem CID 133053613) has the molecular formula C3H8Na2O7P2 and a molecular weight of 264.02 g/mol. Its IUPAC name is disodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid.

Molecular Properties

Compound Namedisodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid
PubChem CID133053613
Molecular FormulaC3H8Na2O7P2
Molecular Weight264.02 g/mol
Exact Mass263.95
IUPAC Namedisodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid
SMILESCCC(O)(P(=O)([O-])[O-])P(=O)(O)O.[Na+].[Na+]
InChIInChI=1S/C3H10O7P2.2Na/c1-2-3(4,11(5,6)7)12(8,9)10;;/h4H,2H2,1H3,(H2,5,6,7)(H2,8,9,10);;/q;2*+1/p-2
InChIKeyLADOCNJXEJMFAS-UHFFFAOYSA-L
XLogP-7.86
TPSA140.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.02
LogP ≤ 5-7.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid
CID 162206462
tetrasodium;(1,12-dihydroxy-12,12-diphosphonato-1-phosphonododecyl)phosphonic acid
CID 102068584
[1-[aminooxy(hydroxy)phosphoryl]-1-hydroxypropyl]phosphonic acid
CID 88638085
disodium;[1-hydroxy-1-phosphonato-2-(3,3,4,4-tetramethylcyclopentyl)ethyl]phosphonic acid
CID 169424489
tetrasodium;3-amino-1,1-diphosphonatopropan-1-ol
CID 72645123
tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid)
CID 173412899
dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid
CID 71435964
disodium;[1-hydroxy-1-phosphonato-2-(triazol-1-yl)ethyl]phosphonic acid
CID 162661345
carbanylium;1,1-diphosphonatododecan-1-ol;bis(yttrium)
CID 158889526
disodium;(1-hydroxy-2-imidazol-1-yl-1-phosphonatoethyl)phosphonic acid;tetrahydrate
CID 21123000
trisodium;hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonatopropyl]phosphinate
CID 45275026
sodium;ethanolate;phosphoric acid
CID 158540403

Frequently Asked Questions

What is the IUPAC name of disodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid?
The IUPAC name of disodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid (CID 133053613) is disodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid.
What is the SMILES notation for disodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid?
The canonical SMILES for disodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid is CCC(O)(P(=O)([O-])[O-])P(=O)(O)O.[Na+].[Na+].
What is the InChIKey of disodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid?
The InChIKey is LADOCNJXEJMFAS-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H10O7P2.2Na/c1-2-3(4,11(5,6)7)12(8,9)10;;/h4H,2H2,1H3,(H2,5,6,7)(H2,8,9,10);;/q;2*+1/p-2.
What are the key properties of disodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid?
disodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid has a molecular weight of 264.02 g/mol, XLogP of -7.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid is sourced from PubChem (CID 133053613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).