bis(2-hydroxyprop-2-enyl) hydrogen phosphate

C6H11O6P — CID 175059095

IUPACbis(2-hydroxyprop-2-enyl) hydrogen phosphate
SMILESC=C(O)COP(=O)(O)OCC(=C)O
InChIInChI=1S/C6H11O6P/c1-5(7)3-11-13(9,10)12-4-6(2)8/h7-8H,1-4H2,(H,9,10)
InChIKeyXVEBIIDUDBKMGG-UHFFFAOYSA-N
MW210.12 g/mol
LogP1.26
Rot. Bonds6

About bis(2-hydroxyprop-2-enyl) hydrogen phosphate

bis(2-hydroxyprop-2-enyl) hydrogen phosphate (PubChem CID 175059095) has the molecular formula C6H11O6P and a molecular weight of 210.12 g/mol. Its IUPAC name is bis(2-hydroxyprop-2-enyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2-hydroxyprop-2-enyl) hydrogen phosphate
PubChem CID175059095
Molecular FormulaC6H11O6P
Molecular Weight210.12 g/mol
Exact Mass210.03
IUPAC Namebis(2-hydroxyprop-2-enyl) hydrogen phosphate
SMILESC=C(O)COP(=O)(O)OCC(=C)O
InChIInChI=1S/C6H11O6P/c1-5(7)3-11-13(9,10)12-4-6(2)8/h7-8H,1-4H2,(H,9,10)
InChIKeyXVEBIIDUDBKMGG-UHFFFAOYSA-N
XLogP1.26
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

but-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid
CID 174383763
bis(hydroxymethyl) hydrogen phosphate
CID 18504364
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
copper;diethyl hydrogen phosphate
CID 174593393
CID 54611578
CID 54611578
diethyl hydrogen phosphate;sulfane
CID 88774651
diethyl hydrogen phosphate;scandium
CID 54607585
sodium;acetic acid;diethyl hydrogen phosphate;hydride
CID 175141912
dibutyl hydrogen phosphate;2-methylidenepentanoic acid
CID 87204754
diethyl hydrogen phosphate;formonitrile
CID 87389342
2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid
CID 23152156
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyprop-2-enyl) hydrogen phosphate?
The IUPAC name of bis(2-hydroxyprop-2-enyl) hydrogen phosphate (CID 175059095) is bis(2-hydroxyprop-2-enyl) hydrogen phosphate.
What is the SMILES notation for bis(2-hydroxyprop-2-enyl) hydrogen phosphate?
The canonical SMILES for bis(2-hydroxyprop-2-enyl) hydrogen phosphate is C=C(O)COP(=O)(O)OCC(=C)O.
What is the InChIKey of bis(2-hydroxyprop-2-enyl) hydrogen phosphate?
The InChIKey is XVEBIIDUDBKMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O6P/c1-5(7)3-11-13(9,10)12-4-6(2)8/h7-8H,1-4H2,(H,9,10).
What are the key properties of bis(2-hydroxyprop-2-enyl) hydrogen phosphate?
bis(2-hydroxyprop-2-enyl) hydrogen phosphate has a molecular weight of 210.12 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyprop-2-enyl) hydrogen phosphate is sourced from PubChem (CID 175059095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).