disodium bis(carboxy(prop-2-enoxy)phosphinate)

C8H12Na2O10P2 — CID 173451662

IUPACdisodium bis(carboxy(prop-2-enoxy)phosphinate)
SMILESC=CCOP(=O)([O-])C(=O)O.C=CCOP(=O)([O-])C(=O)O.[Na+].[Na+]
InChIInChI=1S/2C4H7O5P.2Na/c2*1-2-3-9-10(7,8)4(5)6;;/h2*2H,1,3H2,(H,5,6)(H,7,8);;/q;;2*+1/p-2
InChIKeyQZLUWSNVDAAZKM-UHFFFAOYSA-L
MW376.10 g/mol
LogP-5.15
Rot. Bonds8

About disodium bis(carboxy(prop-2-enoxy)phosphinate)

disodium bis(carboxy(prop-2-enoxy)phosphinate) (PubChem CID 173451662) has the molecular formula C8H12Na2O10P2 and a molecular weight of 376.10 g/mol. Its IUPAC name is disodium bis(carboxy(prop-2-enoxy)phosphinate).

Molecular Properties

Compound Namedisodium bis(carboxy(prop-2-enoxy)phosphinate)
PubChem CID173451662
Molecular FormulaC8H12Na2O10P2
Molecular Weight376.10 g/mol
Exact Mass375.97
IUPAC Namedisodium bis(carboxy(prop-2-enoxy)phosphinate)
SMILESC=CCOP(=O)([O-])C(=O)O.C=CCOP(=O)([O-])C(=O)O.[Na+].[Na+]
InChIInChI=1S/2C4H7O5P.2Na/c2*1-2-3-9-10(7,8)4(5)6;;/h2*2H,1,3H2,(H,5,6)(H,7,8);;/q;;2*+1/p-2
InChIKeyQZLUWSNVDAAZKM-UHFFFAOYSA-L
XLogP-5.15
TPSA173.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.10
LogP ≤ 5-5.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

disodium;prop-2-enyl phosphate
CID 87157623
zinc prop-2-enyl phosphate
CID 87515855
ethenyl(prop-2-enoxy)phosphinate
CID 71349552
carbonochloridic acid;prop-2-enyl dihydrogen phosphate
CID 174647685
zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate
CID 88639643
trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate
CID 174828958
2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid
CID 19024375
sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide
CID 23701941
methane;prop-2-enyl dihydrogen phosphate
CID 87755414
1-bis(prop-2-enoxy)phosphorylprop-2-en-1-one
CID 141060498
2-(dimethylamino)propanoic acid;prop-2-enyl dihydrogen phosphate
CID 174397830
methoxycarbonyl(prop-2-enoxy)phosphinic acid
CID 130449055

Frequently Asked Questions

What is the IUPAC name of disodium bis(carboxy(prop-2-enoxy)phosphinate)?
The IUPAC name of disodium bis(carboxy(prop-2-enoxy)phosphinate) (CID 173451662) is disodium bis(carboxy(prop-2-enoxy)phosphinate).
What is the SMILES notation for disodium bis(carboxy(prop-2-enoxy)phosphinate)?
The canonical SMILES for disodium bis(carboxy(prop-2-enoxy)phosphinate) is C=CCOP(=O)([O-])C(=O)O.C=CCOP(=O)([O-])C(=O)O.[Na+].[Na+].
What is the InChIKey of disodium bis(carboxy(prop-2-enoxy)phosphinate)?
The InChIKey is QZLUWSNVDAAZKM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H7O5P.2Na/c2*1-2-3-9-10(7,8)4(5)6;;/h2*2H,1,3H2,(H,5,6)(H,7,8);;/q;;2*+1/p-2.
What are the key properties of disodium bis(carboxy(prop-2-enoxy)phosphinate)?
disodium bis(carboxy(prop-2-enoxy)phosphinate) has a molecular weight of 376.10 g/mol, XLogP of -5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bis(carboxy(prop-2-enoxy)phosphinate) is sourced from PubChem (CID 173451662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).