[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium

C29H72N6O5+6 — CID 102027381

IUPAC[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
SMILESC[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)C
InChIInChI=1S/C29H72N6O5/c1-30(2,3)15-25(36)17-32(7,8)19-27(38)21-34(11,12)23-29(40)24-35(13,14)22-28(39)20-33(9,10)18-26(37)16-31(4,5)6/h25-29,36-40H,15-24H2,1-14H3/q+6
InChIKeyBOILNKFWJQDECY-UHFFFAOYSA-N
MW584.93 g/mol
LogP-2.49
Rot. Bonds20

About [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium

[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium (PubChem CID 102027381) has the molecular formula C29H72N6O5+6 and a molecular weight of 584.93 g/mol. Its IUPAC name is [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium.

Molecular Properties

Compound Name[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
PubChem CID102027381
Molecular FormulaC29H72N6O5+6
Molecular Weight584.93 g/mol
Exact Mass584.55
IUPAC Name[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
SMILESC[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)C
InChIInChI=1S/C29H72N6O5/c1-30(2,3)15-25(36)17-32(7,8)19-27(38)21-34(11,12)23-29(40)24-35(13,14)22-28(39)20-33(9,10)18-26(37)16-31(4,5)6/h25-29,36-40H,15-24H2,1-14H3/q+6
InChIKeyBOILNKFWJQDECY-UHFFFAOYSA-N
XLogP-2.49
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.93
LogP ≤ 5-2.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium with MolForge

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Related Compounds

[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
CID 102027380
(4-amino-2-hydroxybutyl)-trimethylazanium;chloride;hydrochloride
CID 3026354
[(2R)-4-amino-2-hydroxybutyl]-trimethylazanium;chloride;hydrochloride
CID 155821322
[3-[dimethyl-[3-(methylamino)propyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
CID 134449723
bis(2,2-dihydroxyethyl)-dimethylazanium
CID 19613998
azane;(3-chloro-2-hydroxypropyl)-trimethylazanium;chloride;hydrochloride
CID 174761463
bis(2-hydroxypropyl(trimethyl)azanium);dichloride;hydrate
CID 173377336
[(2R)-2-hydroxy-3-hydroxycarbonylpropyl]-trimethylazanium chloride
CID 163285440
(3-bromo-2-hydroxypropyl)-trimethylazanium bromide
CID 15617985
benzyl-[3-[[3-[[3-[benzyl(dimethyl)azaniumyl]-2-hydroxypropyl]-dimethylazaniumyl]-2-hydroxypropyl]-dimethylazaniumyl]-2-hydroxypropyl]-dimethylazanium tetrachloride
CID 21097406
(2-hydroxy-2-sulfanylethyl)-trimethylazanium
CID 87329040
2-hydroxypropyl(trimethyl)azanium iodide
CID 10263892

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium?
The IUPAC name of [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium (CID 102027381) is [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium.
What is the SMILES notation for [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium?
The canonical SMILES for [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium is C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)C.
What is the InChIKey of [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium?
The InChIKey is BOILNKFWJQDECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H72N6O5/c1-30(2,3)15-25(36)17-32(7,8)19-27(38)21-34(11,12)23-29(40)24-35(13,14)22-28(39)20-33(9,10)18-26(37)16-31(4,5)6/h25-29,36-40H,15-24H2,1-14H3/q+6.
What are the key properties of [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium?
[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium has a molecular weight of 584.93 g/mol, XLogP of -2.49, 20 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium is sourced from PubChem (CID 102027381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).