[4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium

C20H43NO7PS+ — CID 57226090

IUPAC[4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium
SMILESCCCCCCCCCCS(=O)(=O)NC(CCCCCC)C(=O)C(CO)[P+](O)(O)O
InChIInChI=1S/C20H43NO7PS/c1-3-5-7-9-10-11-12-14-16-30(27,28)21-18(15-13-8-6-4-2)20(23)19(17-22)29(24,25)26/h18-19,21-22,24-26H,3-17H2,1-2H3/q+1
InChIKeyFNCCKMKPSNYPKB-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.06
Rot. Bonds20

About [4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium

[4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium (PubChem CID 57226090) has the molecular formula C20H43NO7PS+ and a molecular weight of 472.61 g/mol. Its IUPAC name is [4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium.

Molecular Properties

Compound Name[4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium
PubChem CID57226090
Molecular FormulaC20H43NO7PS+
Molecular Weight472.61 g/mol
Exact Mass472.25
IUPAC Name[4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium
SMILESCCCCCCCCCCS(=O)(=O)NC(CCCCCC)C(=O)C(CO)[P+](O)(O)O
InChIInChI=1S/C20H43NO7PS/c1-3-5-7-9-10-11-12-14-16-30(27,28)21-18(15-13-8-6-4-2)20(23)19(17-22)29(24,25)26/h18-19,21-22,24-26H,3-17H2,1-2H3/q+1
InChIKeyFNCCKMKPSNYPKB-UHFFFAOYSA-N
XLogP3.06
TPSA144.16 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

(2S)-6-amino-2-(dodecylsulfonylamino)hexanoic acid
CID 22878838
methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate
CID 93038199
(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
acetic acid;(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-(hexadecylsulfonylamino)hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-hydroxypropanoic acid
CID 10170193
(2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide
CID 87204173
(2R)-2-(butylsulfonylamino)butanoic acid
CID 42255264
N-(1-hydroxypropan-2-yl)butane-1-sulfonamide
CID 43502189
(2S)-2-[[(2R)-4-amino-2-(heptylsulfonylamino)-4-oxobutanoyl]amino]propanoic acid
CID 146381943
2-[[4-amino-4-oxo-2-(tridecylsulfonylamino)butanoyl]amino]propanoic acid
CID 146381931
2-[[4-amino-2-(heptylsulfonylamino)-4-oxobutanoyl]amino]propanoic acid
CID 146381944
methyl 3-amino-2-(butylsulfonylamino)propanoate
CID 19066399
methyl (2S)-3-amino-2-(butylsulfonylamino)propanoate
CID 10752421

Frequently Asked Questions

What is the IUPAC name of [4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium?
The IUPAC name of [4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium (CID 57226090) is [4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium.
What is the SMILES notation for [4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium?
The canonical SMILES for [4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium is CCCCCCCCCCS(=O)(=O)NC(CCCCCC)C(=O)C(CO)[P+](O)(O)O.
What is the InChIKey of [4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium?
The InChIKey is FNCCKMKPSNYPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO7PS/c1-3-5-7-9-10-11-12-14-16-30(27,28)21-18(15-13-8-6-4-2)20(23)19(17-22)29(24,25)26/h18-19,21-22,24-26H,3-17H2,1-2H3/q+1.
What are the key properties of [4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium?
[4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium has a molecular weight of 472.61 g/mol, XLogP of 3.06, 20 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium is sourced from PubChem (CID 57226090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).