disodium;prop-2-enyl phosphate

C3H5Na2O4P — CID 87157623

IUPACdisodium;prop-2-enyl phosphate
SMILESC=CCOP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C3H7O4P.2Na/c1-2-3-7-8(4,5)6;;/h2H,1,3H2,(H2,4,5,6);;/q;2*+1/p-2
InChIKeyCTTMFEMSISLOCS-UHFFFAOYSA-L
MW182.02 g/mol
LogP-6.97
Rot. Bonds3

About disodium;prop-2-enyl phosphate

disodium;prop-2-enyl phosphate (PubChem CID 87157623) has the molecular formula C3H5Na2O4P and a molecular weight of 182.02 g/mol. Its IUPAC name is disodium;prop-2-enyl phosphate.

Molecular Properties

Compound Namedisodium;prop-2-enyl phosphate
PubChem CID87157623
Molecular FormulaC3H5Na2O4P
Molecular Weight182.02 g/mol
Exact Mass181.97
IUPAC Namedisodium;prop-2-enyl phosphate
SMILESC=CCOP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C3H7O4P.2Na/c1-2-3-7-8(4,5)6;;/h2H,1,3H2,(H2,4,5,6);;/q;2*+1/p-2
InChIKeyCTTMFEMSISLOCS-UHFFFAOYSA-L
XLogP-6.97
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.02
LogP ≤ 5-6.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

zinc prop-2-enyl phosphate
CID 87515855
ethenyl(prop-2-enoxy)phosphinate
CID 71349552
zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate
CID 88639643
disodium bis(carboxy(prop-2-enoxy)phosphinate)
CID 173451662
bis(1-but-1-enylpyridin-1-ium);prop-2-enyl phosphate
CID 70631229
trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate
CID 174828958
methane;prop-2-enyl dihydrogen phosphate
CID 87755414
2-phosphonatooxyethyl phosphate
CID 22721325
prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11535902
sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide
CID 23701941
N-[[bis(prop-2-enyl)amino]-prop-2-enoxyphosphoryl]-N-prop-2-enylprop-2-en-1-amine
CID 88513081
bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+)
CID 87309852

Frequently Asked Questions

What is the IUPAC name of disodium;prop-2-enyl phosphate?
The IUPAC name of disodium;prop-2-enyl phosphate (CID 87157623) is disodium;prop-2-enyl phosphate.
What is the SMILES notation for disodium;prop-2-enyl phosphate?
The canonical SMILES for disodium;prop-2-enyl phosphate is C=CCOP(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;prop-2-enyl phosphate?
The InChIKey is CTTMFEMSISLOCS-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7O4P.2Na/c1-2-3-7-8(4,5)6;;/h2H,1,3H2,(H2,4,5,6);;/q;2*+1/p-2.
What are the key properties of disodium;prop-2-enyl phosphate?
disodium;prop-2-enyl phosphate has a molecular weight of 182.02 g/mol, XLogP of -6.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;prop-2-enyl phosphate is sourced from PubChem (CID 87157623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).