[3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride

C6H18Cl3N3O3 — CID 21280589

IUPAC[3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride
SMILES[Cl-].[Cl-].[Cl-].[NH3+]C1C(O)C([NH3+])C(O)C([NH3+])C1O
InChIInChI=1S/C6H15N3O3.3ClH/c7-1-4(10)2(8)6(12)3(9)5(1)11;;;/h1-6,10-12H,7-9H2;3*1H
InChIKeyJJLVRAIJSKJOGF-UHFFFAOYSA-N
MW286.59 g/mol
LogP-15.07
Rot. Bonds

About [3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride

[3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride (PubChem CID 21280589) has the molecular formula C6H18Cl3N3O3 and a molecular weight of 286.59 g/mol. Its IUPAC name is [3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride.

Molecular Properties

Compound Name[3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride
PubChem CID21280589
Molecular FormulaC6H18Cl3N3O3
Molecular Weight286.59 g/mol
Exact Mass285.04
IUPAC Name[3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride
SMILES[Cl-].[Cl-].[Cl-].[NH3+]C1C(O)C([NH3+])C(O)C([NH3+])C1O
InChIInChI=1S/C6H15N3O3.3ClH/c7-1-4(10)2(8)6(12)3(9)5(1)11;;;/h1-6,10-12H,7-9H2;3*1H
InChIKeyJJLVRAIJSKJOGF-UHFFFAOYSA-N
XLogP-15.07
TPSA143.61 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.59
LogP ≤ 5-15.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium
CID 21280594
[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium
CID 25246244
[(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride
CID 11264099
[(2R,5R)-2,5-dihydroxycyclopentyl]azanium chloride
CID 11768777
[(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium
CID 23250057
[(1S,4S,5S,6S)-4,5,6-trihydroxycyclohex-2-en-1-yl]azanium chloride
CID 10943088
[(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride
CID 11816534
[(2R,3S,5R,6S,7S,8R)-6,7,8-trihydroxy-5-(hydroxymethyl)-4-oxaspiro[2.5]octan-2-yl]azanium chloride
CID 11075609
[(2R,3R,4R,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 7568489
[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 45266741
[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 3258796
[(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium
CID 23250054

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride?
The IUPAC name of [3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride (CID 21280589) is [3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride.
What is the SMILES notation for [3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride?
The canonical SMILES for [3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride is [Cl-].[Cl-].[Cl-].[NH3+]C1C(O)C([NH3+])C(O)C([NH3+])C1O.
What is the InChIKey of [3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride?
The InChIKey is JJLVRAIJSKJOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3.3ClH/c7-1-4(10)2(8)6(12)3(9)5(1)11;;;/h1-6,10-12H,7-9H2;3*1H.
What are the key properties of [3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride?
[3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride has a molecular weight of 286.59 g/mol, XLogP of -15.07, 0 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride is sourced from PubChem (CID 21280589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).