5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol

C13H27NO5 — CID 166948238

IUPAC5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol
SMILESCOC(C)(C)C1OC(CO)C(OC(C)C)C(O)C1N
InChIInChI=1S/C13H27NO5/c1-7(2)18-11-8(6-15)19-12(9(14)10(11)16)13(3,4)17-5/h7-12,15-16H,6,14H2,1-5H3
InChIKeyXZWBNSYYVYHXMW-UHFFFAOYSA-N
MW277.36 g/mol
LogP-0.35
Rot. Bonds5

About 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol

5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol (PubChem CID 166948238) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol.

Molecular Properties

Compound Name5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol
PubChem CID166948238
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Name5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol
SMILESCOC(C)(C)C1OC(CO)C(OC(C)C)C(O)C1N
InChIInChI=1S/C13H27NO5/c1-7(2)18-11-8(6-15)19-12(9(14)10(11)16)13(3,4)17-5/h7-12,15-16H,6,14H2,1-5H3
InChIKeyXZWBNSYYVYHXMW-UHFFFAOYSA-N
XLogP-0.35
TPSA94.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol
CID 155283405
6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol
CID 123753294
(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
6-(hydroxymethyl)-2-(2-octoxypropan-2-yl)-5-propan-2-yloxyoxane-3,4-diol
CID 139397240
6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol
CID 159693212
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol
CID 140856132
(2R,4R,5S)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-propan-2-yloxyoxan-3-yl]oxy-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-propan-2-yloxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 118580562
(3S,4R,5S,6R)-4,5-dihydroxy-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxane-2-carboxylic acid
CID 155296683
6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol
CID 166832148
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-propan-2-yloxy-6-sulfanyloxane-3,4-diol
CID 87069861
(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol
CID 121222434
2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol
CID 134345194

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol?
The IUPAC name of 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol (CID 166948238) is 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol.
What is the SMILES notation for 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol?
The canonical SMILES for 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol is COC(C)(C)C1OC(CO)C(OC(C)C)C(O)C1N.
What is the InChIKey of 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol?
The InChIKey is XZWBNSYYVYHXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5/c1-7(2)18-11-8(6-15)19-12(9(14)10(11)16)13(3,4)17-5/h7-12,15-16H,6,14H2,1-5H3.
What are the key properties of 5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol?
5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol has a molecular weight of 277.36 g/mol, XLogP of -0.35, 5 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-propan-2-yloxyoxan-4-ol is sourced from PubChem (CID 166948238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).