[6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid

C6H12NO6P — CID 22644548

IUPAC[6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid
SMILESO=CN(O)C1CCCC(P(=O)(O)O)O1
InChIInChI=1S/C6H12NO6P/c8-4-7(9)5-2-1-3-6(13-5)14(10,11)12/h4-6,9H,1-3H2,(H2,10,11,12)
InChIKeyQCUPUIJWMRLWMS-UHFFFAOYSA-N
MW225.14 g/mol
LogP-0.14
Rot. Bonds3

About [6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid

[6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid (PubChem CID 22644548) has the molecular formula C6H12NO6P and a molecular weight of 225.14 g/mol. Its IUPAC name is [6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid
PubChem CID22644548
Molecular FormulaC6H12NO6P
Molecular Weight225.14 g/mol
Exact Mass225.04
IUPAC Name[6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid
SMILESO=CN(O)C1CCCC(P(=O)(O)O)O1
InChIInChI=1S/C6H12NO6P/c8-4-7(9)5-2-1-3-6(13-5)14(10,11)12/h4-6,9H,1-3H2,(H2,10,11,12)
InChIKeyQCUPUIJWMRLWMS-UHFFFAOYSA-N
XLogP-0.14
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 [6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid 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]cyclohexyl]phosphonic acid;hydride
CID 173209630
sodium;[3-[formyl(hydroxy)amino]cyclopentyl]phosphonic acid;hydride
CID 173209458
(2-oxooxaphospholan-2-ium-5-yl)phosphonic acid
CID 172800957
6-(hydroxymethyl)oxane-2-carbaldehyde
CID 154093777
N-cyclobutyl-N-(4-hydroxycyclohexyl)formamide
CID 143594834
[6-[amino(methyl)amino]oxan-2-yl]methanol
CID 67062802
(3-fluorocyclohexyl)phosphonic acid
CID 67504081
CID 173209515
CID 173209515
cyclohexane;phosphoric acid
CID 66712199
2-[cycloheptyl(methyl)amino]-2-methylpropanal
CID 130979617
[cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid
CID 87475526
4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide
CID 142585991

Frequently Asked Questions

What is the IUPAC name of [6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid?
The IUPAC name of [6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid (CID 22644548) is [6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid.
What is the SMILES notation for [6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid?
The canonical SMILES for [6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid is O=CN(O)C1CCCC(P(=O)(O)O)O1.
What is the InChIKey of [6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid?
The InChIKey is QCUPUIJWMRLWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO6P/c8-4-7(9)5-2-1-3-6(13-5)14(10,11)12/h4-6,9H,1-3H2,(H2,10,11,12).
What are the key properties of [6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid?
[6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid has a molecular weight of 225.14 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[formyl(hydroxy)amino]oxan-2-yl]phosphonic acid is sourced from PubChem (CID 22644548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).