sodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride

C7H15NNaO5P — CID 173209630

IUPACsodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride
SMILESO=CN(O)C1CCCC(P(=O)(O)O)C1.[H-].[Na+]
InChIInChI=1S/C7H14NO5P.Na.H/c9-5-8(10)6-2-1-3-7(4-6)14(11,12)13;;/h5-7,10H,1-4H2,(H2,11,12,13);;/q;+1;-1
InChIKeyCOFOAWOIOMINJG-UHFFFAOYSA-N
MW247.16 g/mol
LogP-2.56
Rot. Bonds3

About sodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride

sodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride (PubChem CID 173209630) has the molecular formula C7H15NNaO5P and a molecular weight of 247.16 g/mol. Its IUPAC name is sodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride.

Molecular Properties

Compound Namesodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride
PubChem CID173209630
Molecular FormulaC7H15NNaO5P
Molecular Weight247.16 g/mol
Exact Mass247.06
IUPAC Namesodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride
SMILESO=CN(O)C1CCCC(P(=O)(O)O)C1.[H-].[Na+]
InChIInChI=1S/C7H14NO5P.Na.H/c9-5-8(10)6-2-1-3-7(4-6)14(11,12)13;;/h5-7,10H,1-4H2,(H2,11,12,13);;/q;+1;-1
InChIKeyCOFOAWOIOMINJG-UHFFFAOYSA-N
XLogP-2.56
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 5-2.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;[3-[formyl(hydroxy)amino]cyclopentyl]phosphonic acid;hydride
CID 173209458
(3-fluorocyclohexyl)phosphonic acid
CID 67504081
[6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid
CID 22644548
di(cyclooctyl)phosphinic acid
CID 15243623
N-cyclobutyl-N-(4-hydroxycyclohexyl)formamide
CID 143594834
cyclohexyl(phosphonooxy)phosphinic acid;methane
CID 88826552
[cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid
CID 87475526
N,N-dicyclopentylhydroxylamine
CID 87342737
trisodium;formic acid;hydride;phosphoric acid;hexahydrate
CID 175095870
sodium;hydride;phosphoric acid
CID 173151585
sodium;hydride;phosphoric acid
CID 3084021
pentasodium;hydride;phosphoric acid
CID 173157264

Frequently Asked Questions

What is the IUPAC name of sodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride?
The IUPAC name of sodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride (CID 173209630) is sodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride.
What is the SMILES notation for sodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride?
The canonical SMILES for sodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride is O=CN(O)C1CCCC(P(=O)(O)O)C1.[H-].[Na+].
What is the InChIKey of sodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride?
The InChIKey is COFOAWOIOMINJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO5P.Na.H/c9-5-8(10)6-2-1-3-7(4-6)14(11,12)13;;/h5-7,10H,1-4H2,(H2,11,12,13);;/q;+1;-1.
What are the key properties of sodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride?
sodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride has a molecular weight of 247.16 g/mol, XLogP of -2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride is sourced from PubChem (CID 173209630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).