disodium;didodecyl hydrogen phosphate;hydride

C24H53Na2O4P — CID 173063019

IUPACdisodium;didodecyl hydrogen phosphate;hydride
SMILESCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C24H51O4P.2Na.2H/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;;;;/h3-24H2,1-2H3,(H,25,26);;;;/q;2*+1;2*-1
InChIKeyDDZBYPLTWOBFMC-UHFFFAOYSA-N
MW482.64 g/mol
LogP3.19
Rot. Bonds24

About disodium;didodecyl hydrogen phosphate;hydride

disodium;didodecyl hydrogen phosphate;hydride (PubChem CID 173063019) has the molecular formula C24H53Na2O4P and a molecular weight of 482.64 g/mol. Its IUPAC name is disodium;didodecyl hydrogen phosphate;hydride.

Molecular Properties

Compound Namedisodium;didodecyl hydrogen phosphate;hydride
PubChem CID173063019
Molecular FormulaC24H53Na2O4P
Molecular Weight482.64 g/mol
Exact Mass482.35
IUPAC Namedisodium;didodecyl hydrogen phosphate;hydride
SMILESCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C24H51O4P.2Na.2H/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;;;;/h3-24H2,1-2H3,(H,25,26);;;;/q;2*+1;2*-1
InChIKeyDDZBYPLTWOBFMC-UHFFFAOYSA-N
XLogP3.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.64
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
hexadecyl hexyl hydrogen phosphate
CID 15132676
decyl propyl hydrogen phosphate
CID 87587050
didodecyl hydrogen phosphate;nickel
CID 87136164
butyl heptyl hydrogen phosphate
CID 86151412
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
dioctyl hydrogen phosphate;zinc
CID 20743274
azane;ethyl hexadecyl hydrogen phosphate
CID 174382003
acetic acid;dioctyl hydrogen phosphate
CID 175176967
dihydroxy(oxo)zirconium;dioctyl hydrogen phosphate
CID 87504266
sodium;hydride;tetradecyl dihydrogen phosphate
CID 173022959

Frequently Asked Questions

What is the IUPAC name of disodium;didodecyl hydrogen phosphate;hydride?
The IUPAC name of disodium;didodecyl hydrogen phosphate;hydride (CID 173063019) is disodium;didodecyl hydrogen phosphate;hydride.
What is the SMILES notation for disodium;didodecyl hydrogen phosphate;hydride?
The canonical SMILES for disodium;didodecyl hydrogen phosphate;hydride is CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;didodecyl hydrogen phosphate;hydride?
The InChIKey is DDZBYPLTWOBFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51O4P.2Na.2H/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;;;;/h3-24H2,1-2H3,(H,25,26);;;;/q;2*+1;2*-1.
What are the key properties of disodium;didodecyl hydrogen phosphate;hydride?
disodium;didodecyl hydrogen phosphate;hydride has a molecular weight of 482.64 g/mol, XLogP of 3.19, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;didodecyl hydrogen phosphate;hydride is sourced from PubChem (CID 173063019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).