[4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium

C14H30NO5+ — CID 153303924

IUPAC[4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium
SMILESCC(C)(C)OC1OC(CO)C(OC(C)(C)C)C(O)C1[NH3+]
InChIInChI=1S/C14H29NO5/c1-13(2,3)19-11-8(7-16)18-12(9(15)10(11)17)20-14(4,5)6/h8-12,16-17H,7,15H2,1-6H3/p+1
InChIKeyMUGAYMXTXWQYJR-UHFFFAOYSA-O
MW292.40 g/mol
LogP-0.33
Rot. Bonds3

About [4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium

[4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium (PubChem CID 153303924) has the molecular formula C14H30NO5+ and a molecular weight of 292.40 g/mol. Its IUPAC name is [4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium.

Molecular Properties

Compound Name[4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium
PubChem CID153303924
Molecular FormulaC14H30NO5+
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC Name[4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium
SMILESCC(C)(C)OC1OC(CO)C(OC(C)(C)C)C(O)C1[NH3+]
InChIInChI=1S/C14H29NO5/c1-13(2,3)19-11-8(7-16)18-12(9(15)10(11)17)20-14(4,5)6/h8-12,16-17H,7,15H2,1-6H3/p+1
InChIKeyMUGAYMXTXWQYJR-UHFFFAOYSA-O
XLogP-0.33
TPSA95.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol
CID 166832148
[(2S,4S,5R)-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-(2,2-dimethylpropyl)-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 164785071
(2R,4S,5S)-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 174111415
(3S,4R,6R)-2-(hydroxymethyl)-5-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4-diol
CID 158602862
2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol
CID 123355857
4-[[4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]amino]-4-oxobutanoic acid
CID 167048497
5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol
CID 155283405
5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol
CID 155117279
[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 117071743
(2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol
CID 58338801
5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 155635351
N-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]oxan-3-yl]acetamide
CID 148990627

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium?
The IUPAC name of [4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium (CID 153303924) is [4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium.
What is the SMILES notation for [4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium?
The canonical SMILES for [4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium is CC(C)(C)OC1OC(CO)C(OC(C)(C)C)C(O)C1[NH3+].
What is the InChIKey of [4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium?
The InChIKey is MUGAYMXTXWQYJR-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H29NO5/c1-13(2,3)19-11-8(7-16)18-12(9(15)10(11)17)20-14(4,5)6/h8-12,16-17H,7,15H2,1-6H3/p+1.
What are the key properties of [4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium?
[4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium has a molecular weight of 292.40 g/mol, XLogP of -0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium is sourced from PubChem (CID 153303924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).