dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate

C6H13O9P2+ — CID 175310560

IUPACdihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOP(=O)(O)O.O=[P+](O)O
InChIInChI=1S/C6H11O6P.HO3P/c1-5(2)6(7)11-3-4-12-13(8,9)10;1-4(2)3/h1,3-4H2,2H3,(H2,8,9,10);(H-,1,2,3)/p+1
InChIKeyDVKUSTBWBUVHKS-UHFFFAOYSA-O
MW291.11 g/mol
LogP-0.16
Rot. Bonds5

About dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate

dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate (PubChem CID 175310560) has the molecular formula C6H13O9P2+ and a molecular weight of 291.11 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate
PubChem CID175310560
Molecular FormulaC6H13O9P2+
Molecular Weight291.11 g/mol
Exact Mass291.00
IUPAC Namedihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOP(=O)(O)O.O=[P+](O)O
InChIInChI=1S/C6H11O6P.HO3P/c1-5(2)6(7)11-3-4-12-13(8,9)10;1-4(2)3/h1,3-4H2,2H3,(H2,8,9,10);(H-,1,2,3)/p+1
InChIKeyDVKUSTBWBUVHKS-UHFFFAOYSA-O
XLogP-0.16
TPSA150.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-dimethylphosphoryloxyethyl 2-methylprop-2-enoate
CID 54281312
2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate
CID 13363024
dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate
CID 122611995
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate
CID 87608005
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide
CID 160914633
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid
CID 175167107
sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate
CID 122613092
2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate
CID 88502358
N-[hydroxy-bis[2-(2-methylprop-2-enoyloxy)ethoxy]-λ5-phosphanylidene]-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphonamidic acid
CID 101420429
2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium
CID 143475819

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate?
The IUPAC name of dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate (CID 175310560) is dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate?
The canonical SMILES for dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOP(=O)(O)O.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate?
The InChIKey is DVKUSTBWBUVHKS-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11O6P.HO3P/c1-5(2)6(7)11-3-4-12-13(8,9)10;1-4(2)3/h1,3-4H2,2H3,(H2,8,9,10);(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate?
dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate has a molecular weight of 291.11 g/mol, XLogP of -0.16, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 175310560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).