sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride

C2H10NaO7P2+ — CID 173290588

IUPACsodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride
SMILESCCOP(=O)(O)O.O=[P+](O)O.[H-].[Na+]
InChIInChI=1S/C2H7O4P.Na.HO3P.H/c1-2-6-7(3,4)5;;1-4(2)3;/h2H2,1H3,(H2,3,4,5);;(H-,1,2,3);/q;+1;;-1/p+1
InChIKeyOHIPYNQRQDIIJX-UHFFFAOYSA-O
MW231.03 g/mol
LogP-3.14
Rot. Bonds2

About sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride

sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride (PubChem CID 173290588) has the molecular formula C2H10NaO7P2+ and a molecular weight of 231.03 g/mol. Its IUPAC name is sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride.

Molecular Properties

Compound Namesodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride
PubChem CID173290588
Molecular FormulaC2H10NaO7P2+
Molecular Weight231.03 g/mol
Exact Mass230.98
IUPAC Namesodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride
SMILESCCOP(=O)(O)O.O=[P+](O)O.[H-].[Na+]
InChIInChI=1S/C2H7O4P.Na.HO3P.H/c1-2-6-7(3,4)5;;1-4(2)3;/h2H2,1H3,(H2,3,4,5);;(H-,1,2,3);/q;+1;;-1/p+1
InChIKeyOHIPYNQRQDIIJX-UHFFFAOYSA-O
XLogP-3.14
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.03
LogP ≤ 5-3.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
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azane;bis(ethyl dihydrogen phosphate)
CID 174611775
CID 87495286
CID 87495286
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301
dihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate
CID 118510189
heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride
CID 173371191
sodium;amino ethyl hydrogen phosphate;hydride
CID 173405948
sodium;acetic acid;diethyl hydrogen phosphate;hydride
CID 175141912
CID 54611578
CID 54611578

Frequently Asked Questions

What is the IUPAC name of sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride?
The IUPAC name of sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride (CID 173290588) is sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride.
What is the SMILES notation for sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride?
The canonical SMILES for sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride is CCOP(=O)(O)O.O=[P+](O)O.[H-].[Na+].
What is the InChIKey of sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride?
The InChIKey is OHIPYNQRQDIIJX-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H7O4P.Na.HO3P.H/c1-2-6-7(3,4)5;;1-4(2)3;/h2H2,1H3,(H2,3,4,5);;(H-,1,2,3);/q;+1;;-1/p+1.
What are the key properties of sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride?
sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride has a molecular weight of 231.03 g/mol, XLogP of -3.14, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride is sourced from PubChem (CID 173290588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).