2-diethoxyphosphoryl-2-hydroxyiminoacetic acid

C6H12NO6P — CID 87617764

IUPAC2-diethoxyphosphoryl-2-hydroxyiminoacetic acid
SMILESCCOP(=O)(OCC)C(=NO)C(=O)O
InChIInChI=1S/C6H12NO6P/c1-3-12-14(11,13-4-2)5(7-10)6(8)9/h10H,3-4H2,1-2H3,(H,8,9)
InChIKeyPVRCCVNEQYFIAN-UHFFFAOYSA-N
MW225.14 g/mol
LogP1.12
Rot. Bonds6

About 2-diethoxyphosphoryl-2-hydroxyiminoacetic acid

2-diethoxyphosphoryl-2-hydroxyiminoacetic acid (PubChem CID 87617764) has the molecular formula C6H12NO6P and a molecular weight of 225.14 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-2-hydroxyiminoacetic acid.

Molecular Properties

Compound Name2-diethoxyphosphoryl-2-hydroxyiminoacetic acid
PubChem CID87617764
Molecular FormulaC6H12NO6P
Molecular Weight225.14 g/mol
Exact Mass225.04
IUPAC Name2-diethoxyphosphoryl-2-hydroxyiminoacetic acid
SMILESCCOP(=O)(OCC)C(=NO)C(=O)O
InChIInChI=1S/C6H12NO6P/c1-3-12-14(11,13-4-2)5(7-10)6(8)9/h10H,3-4H2,1-2H3,(H,8,9)
InChIKeyPVRCCVNEQYFIAN-UHFFFAOYSA-N
XLogP1.12
TPSA105.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-diethoxyphosphoryl-2-hydroxyiminoacetic 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

bis(diethoxyphosphoryl)methanimine
CID 87803281
N-(1-diethoxyphosphorylhexylidene)hydroxylamine
CID 86741358
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
acetic acid;triethyl phosphate
CID 161446956
diethoxyphosphorylcarbonyl(trihydroxy)phosphanium
CID 57080631
ethyl N-[bis(diethoxyphosphoryl)methylidene]carbamate
CID 134917403
CID 167409576
CID 167409576
(E)-4-diethoxyphosphorylpent-3-en-2-one
CID 12505979
1-diethoxyphosphoryl-3-fluoropropan-1-one
CID 71349176
[(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate
CID 71825418
1-chloro-1-diethoxyphosphorylethene
CID 11481045

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-2-hydroxyiminoacetic acid?
The IUPAC name of 2-diethoxyphosphoryl-2-hydroxyiminoacetic acid (CID 87617764) is 2-diethoxyphosphoryl-2-hydroxyiminoacetic acid.
What is the SMILES notation for 2-diethoxyphosphoryl-2-hydroxyiminoacetic acid?
The canonical SMILES for 2-diethoxyphosphoryl-2-hydroxyiminoacetic acid is CCOP(=O)(OCC)C(=NO)C(=O)O.
What is the InChIKey of 2-diethoxyphosphoryl-2-hydroxyiminoacetic acid?
The InChIKey is PVRCCVNEQYFIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO6P/c1-3-12-14(11,13-4-2)5(7-10)6(8)9/h10H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-diethoxyphosphoryl-2-hydroxyiminoacetic acid?
2-diethoxyphosphoryl-2-hydroxyiminoacetic acid has a molecular weight of 225.14 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-2-hydroxyiminoacetic acid is sourced from PubChem (CID 87617764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).