bis(dihydroxyphosphanyl) (Z)-but-2-enedioate

C4H6O8P2 — CID 174215356

IUPACbis(dihydroxyphosphanyl) (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)OP(O)O)OP(O)O
InChIInChI=1S/C4H6O8P2/c5-3(11-13(7)8)1-2-4(6)12-14(9)10/h1-2,7-10H/b2-1-
InChIKeyVEZYOTYLJUAUJB-UPHRSURJSA-N
MW244.03 g/mol
LogP-0.95
Rot. Bonds4

About bis(dihydroxyphosphanyl) (Z)-but-2-enedioate

bis(dihydroxyphosphanyl) (Z)-but-2-enedioate (PubChem CID 174215356) has the molecular formula C4H6O8P2 and a molecular weight of 244.03 g/mol. Its IUPAC name is bis(dihydroxyphosphanyl) (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis(dihydroxyphosphanyl) (Z)-but-2-enedioate
PubChem CID174215356
Molecular FormulaC4H6O8P2
Molecular Weight244.03 g/mol
Exact Mass243.95
IUPAC Namebis(dihydroxyphosphanyl) (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)OP(O)O)OP(O)O
InChIInChI=1S/C4H6O8P2/c5-3(11-13(7)8)1-2-4(6)12-14(9)10/h1-2,7-10H/b2-1-
InChIKeyVEZYOTYLJUAUJB-UPHRSURJSA-N
XLogP-0.95
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.03
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(dihydroxyphosphanyl) (Z)-but-2-enedioate 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

dihydroxyphosphanyl 5-hydroxypent-2-enoate
CID 154503019
bis(dihydroxyphosphanyl) oxalate
CID 174290415
diiodo (Z)-but-2-enedioate
CID 159859279
CID 160615105
CID 160615105
dimethyl (Z)-but-2-enediperoxoate
CID 118352709
bis(1-hydroxyprop-2-enyl) (E)-but-2-enedioate
CID 87098165
bis(ethenyl) (Z)-but-2-enedioate;ethene
CID 174990906
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
bis(chloromethyl) but-2-enedioate
CID 57287087
disulfino (Z)-but-2-enedioate
CID 174905476
dipropan-2-yl (E)-4-oxopent-2-enedioate
CID 70676166
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912

Frequently Asked Questions

What is the IUPAC name of bis(dihydroxyphosphanyl) (Z)-but-2-enedioate?
The IUPAC name of bis(dihydroxyphosphanyl) (Z)-but-2-enedioate (CID 174215356) is bis(dihydroxyphosphanyl) (Z)-but-2-enedioate.
What is the SMILES notation for bis(dihydroxyphosphanyl) (Z)-but-2-enedioate?
The canonical SMILES for bis(dihydroxyphosphanyl) (Z)-but-2-enedioate is O=C(/C=C\C(=O)OP(O)O)OP(O)O.
What is the InChIKey of bis(dihydroxyphosphanyl) (Z)-but-2-enedioate?
The InChIKey is VEZYOTYLJUAUJB-UPHRSURJSA-N. The full InChI is InChI=1S/C4H6O8P2/c5-3(11-13(7)8)1-2-4(6)12-14(9)10/h1-2,7-10H/b2-1-.
What are the key properties of bis(dihydroxyphosphanyl) (Z)-but-2-enedioate?
bis(dihydroxyphosphanyl) (Z)-but-2-enedioate has a molecular weight of 244.03 g/mol, XLogP of -0.95, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihydroxyphosphanyl) (Z)-but-2-enedioate is sourced from PubChem (CID 174215356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).