disodium;zinc;bis(hexadecyl phosphate)

C32H66Na2O8P2Zn — CID 71736811

IUPACdisodium;zinc;bis(hexadecyl phosphate)
SMILESCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].[Na+].[Na+].[Zn+2]
InChIInChI=1S/2C16H35O4P.2Na.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;;;/h2*2-16H2,1H3,(H2,17,18,19);;;/q;;2*+1;+2/p-4
InChIKeyYDACYEYOVHRXCY-UHFFFAOYSA-J
MW752.19 g/mol
LogP2.63
Rot. Bonds32

About disodium;zinc;bis(hexadecyl phosphate)

disodium;zinc;bis(hexadecyl phosphate) (PubChem CID 71736811) has the molecular formula C32H66Na2O8P2Zn and a molecular weight of 752.19 g/mol. Its IUPAC name is disodium;zinc;bis(hexadecyl phosphate).

Molecular Properties

Compound Namedisodium;zinc;bis(hexadecyl phosphate)
PubChem CID71736811
Molecular FormulaC32H66Na2O8P2Zn
Molecular Weight752.19 g/mol
Exact Mass750.33
IUPAC Namedisodium;zinc;bis(hexadecyl phosphate)
SMILESCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].[Na+].[Na+].[Zn+2]
InChIInChI=1S/2C16H35O4P.2Na.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;;;/h2*2-16H2,1H3,(H2,17,18,19);;;/q;;2*+1;+2/p-4
InChIKeyYDACYEYOVHRXCY-UHFFFAOYSA-J
XLogP2.63
TPSA144.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds32
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500752.19
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

dilithium;tridecyl phosphate
CID 159999815
calcium dotriacontyl phosphate
CID 164901019
dilithium;tetradecyl phosphate
CID 139820221
calcium tetradecyl phosphate
CID 172742428
aluminum nonyl phosphate
CID 19089706
azanium tetradecyl phosphate
CID 19028533
bis(neodymium(3+));octyl phosphate
CID 141387677
dipotassium;octyl phosphate
CID 29394
calcium;sodium;pentadecyl phosphate
CID 172731404
dipotassium;tetradecyl phosphate
CID 11089999
dipotassium;octadecyl phosphate
CID 20511704
calcium hexadecyl phosphate
CID 15662538

Frequently Asked Questions

What is the IUPAC name of disodium;zinc;bis(hexadecyl phosphate)?
The IUPAC name of disodium;zinc;bis(hexadecyl phosphate) (CID 71736811) is disodium;zinc;bis(hexadecyl phosphate).
What is the SMILES notation for disodium;zinc;bis(hexadecyl phosphate)?
The canonical SMILES for disodium;zinc;bis(hexadecyl phosphate) is CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].[Na+].[Na+].[Zn+2].
What is the InChIKey of disodium;zinc;bis(hexadecyl phosphate)?
The InChIKey is YDACYEYOVHRXCY-UHFFFAOYSA-J. The full InChI is InChI=1S/2C16H35O4P.2Na.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;;;/h2*2-16H2,1H3,(H2,17,18,19);;;/q;;2*+1;+2/p-4.
What are the key properties of disodium;zinc;bis(hexadecyl phosphate)?
disodium;zinc;bis(hexadecyl phosphate) has a molecular weight of 752.19 g/mol, XLogP of 2.63, 32 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;zinc;bis(hexadecyl phosphate) is sourced from PubChem (CID 71736811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).