sodium 2-(2-sulfooxyethoxy)octadecanoylazanide

C20H40NNaO6S — CID 142711290

IUPACsodium 2-(2-sulfooxyethoxy)octadecanoylazanide
SMILESCCCCCCCCCCCCCCCCC(OCCOS(=O)(=O)O)C([NH-])=O.[Na+]
InChIInChI=1S/C20H41NO6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(20(21)22)26-17-18-27-28(23,24)25;/h19H,2-18H2,1H3,(H3,21,22,23,24,25);/q;+1/p-1
InChIKeyPWUIBDXFERLUHU-UHFFFAOYSA-M
MW445.60 g/mol
LogP2.65
Rot. Bonds21

About sodium 2-(2-sulfooxyethoxy)octadecanoylazanide

sodium 2-(2-sulfooxyethoxy)octadecanoylazanide (PubChem CID 142711290) has the molecular formula C20H40NNaO6S and a molecular weight of 445.60 g/mol. Its IUPAC name is sodium 2-(2-sulfooxyethoxy)octadecanoylazanide.

Molecular Properties

Compound Namesodium 2-(2-sulfooxyethoxy)octadecanoylazanide
PubChem CID142711290
Molecular FormulaC20H40NNaO6S
Molecular Weight445.60 g/mol
Exact Mass445.25
IUPAC Namesodium 2-(2-sulfooxyethoxy)octadecanoylazanide
SMILESCCCCCCCCCCCCCCCCC(OCCOS(=O)(=O)O)C([NH-])=O.[Na+]
InChIInChI=1S/C20H41NO6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(20(21)22)26-17-18-27-28(23,24)25;/h19H,2-18H2,1H3,(H3,21,22,23,24,25);/q;+1/p-1
InChIKeyPWUIBDXFERLUHU-UHFFFAOYSA-M
XLogP2.65
TPSA113.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.60
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-octadecan-9-yloxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 118576673
2-dodec-1-en-3-yloxyethyl hydrogen sulfate
CID 87607745
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
4-aminododecyl hydrogen sulfate
CID 160778086
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
butyl hydrogen sulfate;heptane
CID 175360663
sodium 2-dodecoxyethyl hydrogen sulfate
CID 23618880
14-ethyloctadecyl hydrogen sulfate
CID 139778454
magnesium icosyl hydrogen sulfate
CID 21125099
alumane;octadecyl hydrogen sulfate
CID 175420064
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-sulfooxyethoxy)octadecanoylazanide?
The IUPAC name of sodium 2-(2-sulfooxyethoxy)octadecanoylazanide (CID 142711290) is sodium 2-(2-sulfooxyethoxy)octadecanoylazanide.
What is the SMILES notation for sodium 2-(2-sulfooxyethoxy)octadecanoylazanide?
The canonical SMILES for sodium 2-(2-sulfooxyethoxy)octadecanoylazanide is CCCCCCCCCCCCCCCCC(OCCOS(=O)(=O)O)C([NH-])=O.[Na+].
What is the InChIKey of sodium 2-(2-sulfooxyethoxy)octadecanoylazanide?
The InChIKey is PWUIBDXFERLUHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H41NO6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(20(21)22)26-17-18-27-28(23,24)25;/h19H,2-18H2,1H3,(H3,21,22,23,24,25);/q;+1/p-1.
What are the key properties of sodium 2-(2-sulfooxyethoxy)octadecanoylazanide?
sodium 2-(2-sulfooxyethoxy)octadecanoylazanide has a molecular weight of 445.60 g/mol, XLogP of 2.65, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-sulfooxyethoxy)octadecanoylazanide is sourced from PubChem (CID 142711290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).