sodium;[dichloro(dihexoxyphosphoryl)methyl]-hexoxyphosphinic acid;hydride

C19H41Cl2NaO6P2 — CID 173344787

IUPACsodium;[dichloro(dihexoxyphosphoryl)methyl]-hexoxyphosphinic acid;hydride
SMILESCCCCCCOP(=O)(O)C(Cl)(Cl)P(=O)(OCCCCCC)OCCCCCC.[H-].[Na+]
InChIInChI=1S/C19H40Cl2O6P2.Na.H/c1-4-7-10-13-16-25-28(22,23)19(20,21)29(24,26-17-14-11-8-5-2)27-18-15-12-9-6-3;;/h4-18H2,1-3H3,(H,22,23);;/q;+1;-1
InChIKeyUNBRYHCWYRBOKR-UHFFFAOYSA-N
MW521.38 g/mol
LogP5.36
Rot. Bonds20

About sodium;[dichloro(dihexoxyphosphoryl)methyl]-hexoxyphosphinic acid;hydride

sodium;[dichloro(dihexoxyphosphoryl)methyl]-hexoxyphosphinic acid;hydride (PubChem CID 173344787) has the molecular formula C19H41Cl2NaO6P2 and a molecular weight of 521.38 g/mol. Its IUPAC name is sodium;[dichloro(dihexoxyphosphoryl)methyl]-hexoxyphosphinic acid;hydride.

Molecular Properties

Compound Namesodium;[dichloro(dihexoxyphosphoryl)methyl]-hexoxyphosphinic acid;hydride
PubChem CID173344787
Molecular FormulaC19H41Cl2NaO6P2
Molecular Weight521.38 g/mol
Exact Mass520.17
IUPAC Namesodium;[dichloro(dihexoxyphosphoryl)methyl]-hexoxyphosphinic acid;hydride
SMILESCCCCCCOP(=O)(O)C(Cl)(Cl)P(=O)(OCCCCCC)OCCCCCC.[H-].[Na+]
InChIInChI=1S/C19H40Cl2O6P2.Na.H/c1-4-7-10-13-16-25-28(22,23)19(20,21)29(24,26-17-14-11-8-5-2)27-18-15-12-9-6-3;;/h4-18H2,1-3H3,(H,22,23);;/q;+1;-1
InChIKeyUNBRYHCWYRBOKR-UHFFFAOYSA-N
XLogP5.36
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.38
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[dichloro(dipentoxyphosphoryl)methyl]-pentoxyphosphoryl]oxypentane
CID 14957291
[dichloro(dibutoxyphosphoryl)methyl]phosphonic acid
CID 54482610
sodium;hydride;tetradecyl dihydrogen phosphate
CID 173022959
disodium;didodecyl hydrogen phosphate;hydride
CID 173063019
1-dichlorophosphoryloxyoctadecane
CID 88757359
decyl dodecyl hydrogen phosphate
CID 20810618
pentatriacontyl dihydrogen phosphate
CID 164897229
hexyl nonyl hydrogen phosphate
CID 23169649
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
octatriacontyl dihydrogen phosphate
CID 140979287
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
hexadecyl hexyl hydrogen phosphate
CID 15132676

Frequently Asked Questions

What is the IUPAC name of sodium;[dichloro(dihexoxyphosphoryl)methyl]-hexoxyphosphinic acid;hydride?
The IUPAC name of sodium;[dichloro(dihexoxyphosphoryl)methyl]-hexoxyphosphinic acid;hydride (CID 173344787) is sodium;[dichloro(dihexoxyphosphoryl)methyl]-hexoxyphosphinic acid;hydride.
What is the SMILES notation for sodium;[dichloro(dihexoxyphosphoryl)methyl]-hexoxyphosphinic acid;hydride?
The canonical SMILES for sodium;[dichloro(dihexoxyphosphoryl)methyl]-hexoxyphosphinic acid;hydride is CCCCCCOP(=O)(O)C(Cl)(Cl)P(=O)(OCCCCCC)OCCCCCC.[H-].[Na+].
What is the InChIKey of sodium;[dichloro(dihexoxyphosphoryl)methyl]-hexoxyphosphinic acid;hydride?
The InChIKey is UNBRYHCWYRBOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40Cl2O6P2.Na.H/c1-4-7-10-13-16-25-28(22,23)19(20,21)29(24,26-17-14-11-8-5-2)27-18-15-12-9-6-3;;/h4-18H2,1-3H3,(H,22,23);;/q;+1;-1.
What are the key properties of sodium;[dichloro(dihexoxyphosphoryl)methyl]-hexoxyphosphinic acid;hydride?
sodium;[dichloro(dihexoxyphosphoryl)methyl]-hexoxyphosphinic acid;hydride has a molecular weight of 521.38 g/mol, XLogP of 5.36, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[dichloro(dihexoxyphosphoryl)methyl]-hexoxyphosphinic acid;hydride is sourced from PubChem (CID 173344787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).