5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol

C14H29NO5 — CID 155283405

IUPAC5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol
SMILESCOC(C)(C)C1OC(CO)C(OC(C)(C)C)C(O)C1N
InChIInChI=1S/C14H29NO5/c1-13(2,3)20-11-8(7-16)19-12(9(15)10(11)17)14(4,5)18-6/h8-12,16-17H,7,15H2,1-6H3
InChIKeyXZBUSEBMUKRYDB-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.04
Rot. Bonds4

About 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol

5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol (PubChem CID 155283405) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol.

Molecular Properties

Compound Name5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol
PubChem CID155283405
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Name5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol
SMILESCOC(C)(C)C1OC(CO)C(OC(C)(C)C)C(O)C1N
InChIInChI=1S/C14H29NO5/c1-13(2,3)20-11-8(7-16)19-12(9(15)10(11)17)14(4,5)18-6/h8-12,16-17H,7,15H2,1-6H3
InChIKeyXZBUSEBMUKRYDB-UHFFFAOYSA-N
XLogP0.04
TPSA94.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol 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

5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol
CID 166948238
(3S,6R)-5-amino-6-[2-[(6R)-5-amino-6-[2-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-2-(hydroxymethyl)oxane-3,4-diol
CID 163574219
2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol
CID 123355857
[4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium
CID 153303924
(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
6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol
CID 166832148
5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol
CID 155117279
(2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol
CID 70675474
[(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
2-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
CID 22885878
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
(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 91407540

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol?
The IUPAC name of 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol (CID 155283405) is 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol.
What is the SMILES notation for 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol?
The canonical SMILES for 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol is COC(C)(C)C1OC(CO)C(OC(C)(C)C)C(O)C1N.
What is the InChIKey of 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol?
The InChIKey is XZBUSEBMUKRYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5/c1-13(2,3)20-11-8(7-16)19-12(9(15)10(11)17)14(4,5)18-6/h8-12,16-17H,7,15H2,1-6H3.
What are the key properties of 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol?
5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol has a molecular weight of 291.39 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol is sourced from PubChem (CID 155283405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).