sodium;amino ethyl hydrogen phosphate;hydride

C2H9NNaO4P — CID 173405948

IUPACsodium;amino ethyl hydrogen phosphate;hydride
SMILESCCOP(=O)(O)ON.[H-].[Na+]
InChIInChI=1S/C2H8NO4P.Na.H/c1-2-6-8(4,5)7-3;;/h2-3H2,1H3,(H,4,5);;/q;+1;-1
InChIKeyBHYSDWVBSVXMBA-UHFFFAOYSA-N
MW165.06 g/mol
LogP-2.87
Rot. Bonds3

About sodium;amino ethyl hydrogen phosphate;hydride

sodium;amino ethyl hydrogen phosphate;hydride (PubChem CID 173405948) has the molecular formula C2H9NNaO4P and a molecular weight of 165.06 g/mol. Its IUPAC name is sodium;amino ethyl hydrogen phosphate;hydride.

Molecular Properties

Compound Namesodium;amino ethyl hydrogen phosphate;hydride
PubChem CID173405948
Molecular FormulaC2H9NNaO4P
Molecular Weight165.06 g/mol
Exact Mass165.02
IUPAC Namesodium;amino ethyl hydrogen phosphate;hydride
SMILESCCOP(=O)(O)ON.[H-].[Na+]
InChIInChI=1S/C2H8NO4P.Na.H/c1-2-6-8(4,5)7-3;;/h2-3H2,1H3,(H,4,5);;/q;+1;-1
InChIKeyBHYSDWVBSVXMBA-UHFFFAOYSA-N
XLogP-2.87
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 5-2.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;amino ethyl hydrogen phosphate;hydride?
The IUPAC name of sodium;amino ethyl hydrogen phosphate;hydride (CID 173405948) is sodium;amino ethyl hydrogen phosphate;hydride.
What is the SMILES notation for sodium;amino ethyl hydrogen phosphate;hydride?
The canonical SMILES for sodium;amino ethyl hydrogen phosphate;hydride is CCOP(=O)(O)ON.[H-].[Na+].
What is the InChIKey of sodium;amino ethyl hydrogen phosphate;hydride?
The InChIKey is BHYSDWVBSVXMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO4P.Na.H/c1-2-6-8(4,5)7-3;;/h2-3H2,1H3,(H,4,5);;/q;+1;-1.
What are the key properties of sodium;amino ethyl hydrogen phosphate;hydride?
sodium;amino ethyl hydrogen phosphate;hydride has a molecular weight of 165.06 g/mol, XLogP of -2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;amino ethyl hydrogen phosphate;hydride is sourced from PubChem (CID 173405948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).