C2H7NaO4P — CID 87495286

IUPAC—
SMILESCCOP(=O)(O)O.[Na]
InChIInChI=1S/C2H7O4P.Na/c1-2-6-7(3,4)5;/h2H2,1H3,(H2,3,4,5);
InChIKeyFEZGJAGXDHXQTG-UHFFFAOYSA-N
MW149.04 g/mol
LogP-0.27
Rot. Bonds2

About

(PubChem CID 87495286) has the molecular formula C2H7NaO4P and a molecular weight of 149.04 g/mol.

Molecular Properties

Compound Name
PubChem CID87495286
Molecular FormulaC2H7NaO4P
Molecular Weight149.04 g/mol
Exact Mass149.00
IUPAC Name—
SMILESCCOP(=O)(O)O.[Na]
InChIInChI=1S/C2H7O4P.Na/c1-2-6-7(3,4)5;/h2H2,1H3,(H2,3,4,5);
InChIKeyFEZGJAGXDHXQTG-UHFFFAOYSA-N
XLogP-0.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.04
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
alumane;ethyl dihydrogen phosphate
CID 173113989
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301
sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride
CID 173290588
CID 54611578
CID 54611578
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
copper;diethyl hydrogen phosphate
CID 174593393
diethyl hydrogen phosphate;sulfane
CID 88774651
diethyl hydrogen phosphate;scandium
CID 54607585

Frequently Asked Questions

What is the IUPAC name of ?
The IUPAC name of (CID 87495286) is not available.
What is the SMILES notation for ?
The canonical SMILES for is CCOP(=O)(O)O.[Na].
What is the InChIKey of ?
The InChIKey is FEZGJAGXDHXQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O4P.Na/c1-2-6-7(3,4)5;/h2H2,1H3,(H2,3,4,5);.
What are the key properties of ?
has a molecular weight of 149.04 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for is sourced from PubChem (CID 87495286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).