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

C6H13NNaO5P — CID 173209458

IUPACsodium;[3-[formyl(hydroxy)amino]cyclopentyl]phosphonic acid;hydride
SMILESO=CN(O)C1CCC(P(=O)(O)O)C1.[H-].[Na+]
InChIInChI=1S/C6H12NO5P.Na.H/c8-4-7(9)5-1-2-6(3-5)13(10,11)12;;/h4-6,9H,1-3H2,(H2,10,11,12);;/q;+1;-1
InChIKeyOKTDVZHGFPCITM-UHFFFAOYSA-N
MW233.14 g/mol
LogP-2.95
Rot. Bonds3

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

sodium;[3-[formyl(hydroxy)amino]cyclopentyl]phosphonic acid;hydride (PubChem CID 173209458) has the molecular formula C6H13NNaO5P and a molecular weight of 233.14 g/mol. Its IUPAC name is sodium;[3-[formyl(hydroxy)amino]cyclopentyl]phosphonic acid;hydride.

Molecular Properties

Compound Namesodium;[3-[formyl(hydroxy)amino]cyclopentyl]phosphonic acid;hydride
PubChem CID173209458
Molecular FormulaC6H13NNaO5P
Molecular Weight233.14 g/mol
Exact Mass233.04
IUPAC Namesodium;[3-[formyl(hydroxy)amino]cyclopentyl]phosphonic acid;hydride
SMILESO=CN(O)C1CCC(P(=O)(O)O)C1.[H-].[Na+]
InChIInChI=1S/C6H12NO5P.Na.H/c8-4-7(9)5-1-2-6(3-5)13(10,11)12;;/h4-6,9H,1-3H2,(H2,10,11,12);;/q;+1;-1
InChIKeyOKTDVZHGFPCITM-UHFFFAOYSA-N
XLogP-2.95
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 5-2.95
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'}

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Related Compounds

sodium;[3-[formyl(hydroxy)amino]cyclohexyl]phosphonic acid;hydride
CID 173209630
[6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid
CID 22644548
(3-fluorocyclohexyl)phosphonic acid
CID 67504081
trisodium;formic acid;hydride;phosphoric acid;hexahydrate
CID 175095870
sodium;hydride;phosphoric acid
CID 3084021
sodium;hydride;phosphoric acid
CID 173151585
trisodium;hydride;phosphoric acid
CID 173046731
pentasodium;hydride;phosphoric acid
CID 173157264
pyrrolidin-3-ylphosphonic acid
CID 19370172
(3-oxocyclopentyl)phosphonic acid
CID 22644556
N-cyclobutyl-N-(4-hydroxycyclohexyl)formamide
CID 143594834
N-cyclopropyl-N-(1-hydroxyethyl)formamide
CID 174552512

Frequently Asked Questions

What is the IUPAC name of sodium;[3-[formyl(hydroxy)amino]cyclopentyl]phosphonic acid;hydride?
The IUPAC name of sodium;[3-[formyl(hydroxy)amino]cyclopentyl]phosphonic acid;hydride (CID 173209458) is sodium;[3-[formyl(hydroxy)amino]cyclopentyl]phosphonic acid;hydride.
What is the SMILES notation for sodium;[3-[formyl(hydroxy)amino]cyclopentyl]phosphonic acid;hydride?
The canonical SMILES for sodium;[3-[formyl(hydroxy)amino]cyclopentyl]phosphonic acid;hydride is O=CN(O)C1CCC(P(=O)(O)O)C1.[H-].[Na+].
What is the InChIKey of sodium;[3-[formyl(hydroxy)amino]cyclopentyl]phosphonic acid;hydride?
The InChIKey is OKTDVZHGFPCITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO5P.Na.H/c8-4-7(9)5-1-2-6(3-5)13(10,11)12;;/h4-6,9H,1-3H2,(H2,10,11,12);;/q;+1;-1.
What are the key properties of sodium;[3-[formyl(hydroxy)amino]cyclopentyl]phosphonic acid;hydride?
sodium;[3-[formyl(hydroxy)amino]cyclopentyl]phosphonic acid;hydride has a molecular weight of 233.14 g/mol, XLogP of -2.95, 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]cyclopentyl]phosphonic acid;hydride is sourced from PubChem (CID 173209458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).