2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate

C20H44NO7PS — CID 11754617

IUPAC2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate
SMILESCCCCCCCCCCS(=O)(=O)NC(CCCCCC)COP(=O)(O)OCCO
InChIInChI=1S/C20H44NO7PS/c1-3-5-7-9-10-11-12-14-18-30(25,26)21-20(15-13-8-6-4-2)19-28-29(23,24)27-17-16-22/h20-22H,3-19H2,1-2H3,(H,23,24)
InChIKeyZLUMQIJOEAYEOS-UHFFFAOYSA-N
MW473.61 g/mol
LogP4.51
Rot. Bonds22

About 2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate

2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate (PubChem CID 11754617) has the molecular formula C20H44NO7PS and a molecular weight of 473.61 g/mol. Its IUPAC name is 2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate.

Molecular Properties

Compound Name2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate
PubChem CID11754617
Molecular FormulaC20H44NO7PS
Molecular Weight473.61 g/mol
Exact Mass473.26
IUPAC Name2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate
SMILESCCCCCCCCCCS(=O)(=O)NC(CCCCCC)COP(=O)(O)OCCO
InChIInChI=1S/C20H44NO7PS/c1-3-5-7-9-10-11-12-14-18-30(25,26)21-20(15-13-8-6-4-2)19-28-29(23,24)27-17-16-22/h20-22H,3-19H2,1-2H3,(H,23,24)
InChIKeyZLUMQIJOEAYEOS-UHFFFAOYSA-N
XLogP4.51
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

azane;hexadecyl 2-hydroxyethyl hydrogen phosphate
CID 173341052
bis(2-decylpentadecyl) hydrogen phosphate
CID 57320275
bis(2-methylheptadecyl) hydrogen phosphate
CID 102070249
butyl heptyl hydrogen phosphate
CID 86151412
N-(1-trityloxyoctan-2-yl)decane-1-sulfonamide
CID 23202661
bis(2-ethyloctyl) hydrogen phosphate
CID 15134822
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
lithium;dibutyl hydrogen phosphate;hydride
CID 174759631
hexadecyl hexyl hydrogen phosphate
CID 15132676
ethenone;ethyl 2-hydroxyethyl hydrogen phosphate;bis(heptane)
CID 91224347
dibutyl hydrogen phosphate
CID 158586372

Frequently Asked Questions

What is the IUPAC name of 2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate?
The IUPAC name of 2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate (CID 11754617) is 2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate.
What is the SMILES notation for 2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate?
The canonical SMILES for 2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate is CCCCCCCCCCS(=O)(=O)NC(CCCCCC)COP(=O)(O)OCCO.
What is the InChIKey of 2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate?
The InChIKey is ZLUMQIJOEAYEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44NO7PS/c1-3-5-7-9-10-11-12-14-18-30(25,26)21-20(15-13-8-6-4-2)19-28-29(23,24)27-17-16-22/h20-22H,3-19H2,1-2H3,(H,23,24).
What are the key properties of 2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate?
2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate has a molecular weight of 473.61 g/mol, XLogP of 4.51, 22 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate is sourced from PubChem (CID 11754617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).