[4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium

C11H24NO4+ — CID 77422832

IUPAC[4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium
SMILESCOC1OC(CO)C(C)C(O)C1[N+](C)(C)C
InChIInChI=1S/C11H24NO4/c1-7-8(6-13)16-11(15-5)9(10(7)14)12(2,3)4/h7-11,13-14H,6H2,1-5H3/q+1
InChIKeyBARMYYHEHJOLRK-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.58
Rot. Bonds3

About [4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium

[4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium (PubChem CID 77422832) has the molecular formula C11H24NO4+ and a molecular weight of 234.32 g/mol. Its IUPAC name is [4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium.

Molecular Properties

Compound Name[4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium
PubChem CID77422832
Molecular FormulaC11H24NO4+
Molecular Weight234.32 g/mol
Exact Mass234.17
IUPAC Name[4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium
SMILESCOC1OC(CO)C(C)C(O)C1[N+](C)(C)C
InChIInChI=1S/C11H24NO4/c1-7-8(6-13)16-11(15-5)9(10(7)14)12(2,3)4/h7-11,13-14H,6H2,1-5H3/q+1
InChIKeyBARMYYHEHJOLRK-UHFFFAOYSA-N
XLogP-0.58
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224
(2S,3S,5S)-2-[(2S,3S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 131971000
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol
CID 167334563
[(2S,3S,5R,6R)-3-(hydroxymethyl)-5,6-dimethoxy-1,4-dioxan-2-yl]methanol
CID 166639551
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium?
The IUPAC name of [4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium (CID 77422832) is [4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium.
What is the SMILES notation for [4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium?
The canonical SMILES for [4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium is COC1OC(CO)C(C)C(O)C1[N+](C)(C)C.
What is the InChIKey of [4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium?
The InChIKey is BARMYYHEHJOLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO4/c1-7-8(6-13)16-11(15-5)9(10(7)14)12(2,3)4/h7-11,13-14H,6H2,1-5H3/q+1.
What are the key properties of [4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium?
[4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium has a molecular weight of 234.32 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium is sourced from PubChem (CID 77422832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).