heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride

C68H239Na17O95P26+26 — CID 173371191

IUPACheptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride
SMILESCCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/17C4H10O.17Na.26HO3P.17H/c17*1-3-5-4-2;;;;;;;;;;;;;;;;;;26*1-4(2)3;;;;;;;;;;;;;;;;;/h17*3-4H2,1-2H3;;;;;;;;;;;;;;;;;;26*(H-,1,2,3);;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;17*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;17*-1/p+26
InChIKeyFSSBDLHOCLJNNB-UHFFFAOYSA-A
MW3773.72 g/mol
LogP-40.95
Rot. Bonds34

About heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride

heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride (PubChem CID 173371191) has the molecular formula C68H239Na17O95P26+26 and a molecular weight of 3773.72 g/mol. Its IUPAC name is heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride.

Molecular Properties

Compound Nameheptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride
PubChem CID173371191
Molecular FormulaC68H239Na17O95P26+26
Molecular Weight3773.72 g/mol
Exact Mass3772.52
IUPAC Nameheptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride
SMILESCCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/17C4H10O.17Na.26HO3P.17H/c17*1-3-5-4-2;;;;;;;;;;;;;;;;;;26*1-4(2)3;;;;;;;;;;;;;;;;;/h17*3-4H2,1-2H3;;;;;;;;;;;;;;;;;;26*(H-,1,2,3);;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;17*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;17*-1/p+26
InChIKeyFSSBDLHOCLJNNB-UHFFFAOYSA-A
XLogP-40.95
TPSA1652.69 Ų
H-Bond Donors52
H-Bond Acceptors43
Rotatable Bonds34
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003773.72
LogP ≤ 5-40.95
H-Bond Donors ≤ 552
H-Bond Acceptors ≤ 1043

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Related Compounds

calcium;sodium;ethoxyethane;hydride
CID 173354921
disodium;ethoxyethane
CID 23107014
tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
strontium;ethoxyethane;hydride
CID 174808757
sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride
CID 173290588
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
lithium;dihydroxy(oxo)phosphanium;methanidyloxyethane
CID 175392491
sodium;ethoxy-methyl-oxophosphanium;hydride
CID 175193862
lithium;alumane;ethoxyethane;hydride
CID 173476606
ethoxyethane;hydroxylamine
CID 135816400
ethoxyethane;formaldehyde
CID 174286087

Frequently Asked Questions

What is the IUPAC name of heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride?
The IUPAC name of heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride (CID 173371191) is heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride.
What is the SMILES notation for heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride?
The canonical SMILES for heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride is CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride?
The InChIKey is FSSBDLHOCLJNNB-UHFFFAOYSA-A. The full InChI is InChI=1S/17C4H10O.17Na.26HO3P.17H/c17*1-3-5-4-2;;;;;;;;;;;;;;;;;;26*1-4(2)3;;;;;;;;;;;;;;;;;/h17*3-4H2,1-2H3;;;;;;;;;;;;;;;;;;26*(H-,1,2,3);;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;17*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;17*-1/p+26.
What are the key properties of heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride?
heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride has a molecular weight of 3773.72 g/mol, XLogP of -40.95, 34 rotatable bonds, 52 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride is sourced from PubChem (CID 173371191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).