sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride

C6H16NaO6P — CID 175400534

IUPACsodium;1,1-diethoxyethyl dihydrogen phosphate;hydride
SMILESCCOC(C)(OCC)OP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C6H15O6P.Na.H/c1-4-10-6(3,11-5-2)12-13(7,8)9;;/h4-5H2,1-3H3,(H2,7,8,9);;/q;+1;-1
InChIKeyZTOOPSWVQZNYRH-UHFFFAOYSA-N
MW238.15 g/mol
LogP-2.04
Rot. Bonds6

About sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride

sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride (PubChem CID 175400534) has the molecular formula C6H16NaO6P and a molecular weight of 238.15 g/mol. Its IUPAC name is sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride.

Molecular Properties

Compound Namesodium;1,1-diethoxyethyl dihydrogen phosphate;hydride
PubChem CID175400534
Molecular FormulaC6H16NaO6P
Molecular Weight238.15 g/mol
Exact Mass238.06
IUPAC Namesodium;1,1-diethoxyethyl dihydrogen phosphate;hydride
SMILESCCOC(C)(OCC)OP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C6H15O6P.Na.H/c1-4-10-6(3,11-5-2)12-13(7,8)9;;/h4-5H2,1-3H3,(H2,7,8,9);;/q;+1;-1
InChIKeyZTOOPSWVQZNYRH-UHFFFAOYSA-N
XLogP-2.04
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 5-2.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxyethyl methyl hydrogen phosphate
CID 175400532
1,1-dibutoxyethyl dihydrogen phosphate;2,2,2-tributoxyethyl dihydrogen phosphate
CID 89486636
acetic acid;1,1,1-triethoxyethane
CID 90101940
1,1-diethoxyethyl(ethoxy)phosphinic acid
CID 150387387
(2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate
CID 87919109
3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid
CID 87344448
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
1,1-diethoxyethyl(difluoromethyl)phosphinic acid
CID 19988595
1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid
CID 174561283
sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride
CID 173290588
[chloro-bis[(2-methylpropan-2-yl)oxy]methyl] dihydrogen phosphate
CID 141164349
[1,2-bis(ethoxycarbonyloxy)-1-phosphonooxyethyl] ethyl carbonate
CID 146462683

Frequently Asked Questions

What is the IUPAC name of sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride?
The IUPAC name of sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride (CID 175400534) is sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride.
What is the SMILES notation for sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride?
The canonical SMILES for sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride is CCOC(C)(OCC)OP(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride?
The InChIKey is ZTOOPSWVQZNYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O6P.Na.H/c1-4-10-6(3,11-5-2)12-13(7,8)9;;/h4-5H2,1-3H3,(H2,7,8,9);;/q;+1;-1.
What are the key properties of sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride?
sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride has a molecular weight of 238.15 g/mol, XLogP of -2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride is sourced from PubChem (CID 175400534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).