disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate

CH4Cl2Na2O7P2 — CID 140533737

IUPACdisodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate
SMILESO.O=P([O-])(O)C(Cl)(Cl)P(=O)([O-])O.[Na+].[Na+]
InChIInChI=1S/CH4Cl2O6P2.2Na.H2O/c2-1(3,10(4,5)6)11(7,8)9;;;/h(H2,4,5,6)(H2,7,8,9);;;1H2/q;2*+1;/p-2
InChIKeyIKSLTZQEHUFDDU-UHFFFAOYSA-L
MW306.87 g/mol
LogP-7.65
Rot. Bonds2

About disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate

disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate (PubChem CID 140533737) has the molecular formula CH4Cl2Na2O7P2 and a molecular weight of 306.87 g/mol. Its IUPAC name is disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate.

Molecular Properties

Compound Namedisodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate
PubChem CID140533737
Molecular FormulaCH4Cl2Na2O7P2
Molecular Weight306.87 g/mol
Exact Mass305.86
IUPAC Namedisodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate
SMILESO.O=P([O-])(O)C(Cl)(Cl)P(=O)([O-])O.[Na+].[Na+]
InChIInChI=1S/CH4Cl2O6P2.2Na.H2O/c2-1(3,10(4,5)6)11(7,8)9;;;/h(H2,4,5,6)(H2,7,8,9);;;1H2/q;2*+1;/p-2
InChIKeyIKSLTZQEHUFDDU-UHFFFAOYSA-L
XLogP-7.65
TPSA152.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.87
LogP ≤ 5-7.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;dihydrogen phosphate;pentahydrate
CID 141311131
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sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate
CID 160530469
aluminum;sodium;hydrogen phosphate;hydrate
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disodium;hydrogen phosphate;phosphoric acid;dodecahydrate
CID 174809343
sodium dihydroxy(32P)phosphinate
CID 23694678
[dichloro(phosphono)methyl]phosphonic acid
CID 25419
disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane
CID 23619782
disodium;[3-amino-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate;dihydrate
CID 45358001
trisodium;phosphoric acid;phosphate
CID 172853200
disodium;dihydrogen phosphate;hydride
CID 160585046

Frequently Asked Questions

What is the IUPAC name of disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate?
The IUPAC name of disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate (CID 140533737) is disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate.
What is the SMILES notation for disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate?
The canonical SMILES for disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate is O.O=P([O-])(O)C(Cl)(Cl)P(=O)([O-])O.[Na+].[Na+].
What is the InChIKey of disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate?
The InChIKey is IKSLTZQEHUFDDU-UHFFFAOYSA-L. The full InChI is InChI=1S/CH4Cl2O6P2.2Na.H2O/c2-1(3,10(4,5)6)11(7,8)9;;;/h(H2,4,5,6)(H2,7,8,9);;;1H2/q;2*+1;/p-2.
What are the key properties of disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate?
disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate has a molecular weight of 306.87 g/mol, XLogP of -7.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate is sourced from PubChem (CID 140533737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).