6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol

C8H17NO5 — CID 123282538

IUPAC6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol
SMILESCNC1C(O)OC(COC)C(O)C1O
InChIInChI=1S/C8H17NO5/c1-9-5-7(11)6(10)4(3-13-2)14-8(5)12/h4-12H,3H2,1-2H3
InChIKeyLYIVXDOPQVXWJZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP-2.34
Rot. Bonds3

About 6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol

6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol (PubChem CID 123282538) has the molecular formula C8H17NO5 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol.

Molecular Properties

Compound Name6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol
PubChem CID123282538
Molecular FormulaC8H17NO5
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC Name6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol
SMILESCNC1C(O)OC(COC)C(O)C1O
InChIInChI=1S/C8H17NO5/c1-9-5-7(11)6(10)4(3-13-2)14-8(5)12/h4-12H,3H2,1-2H3
InChIKeyLYIVXDOPQVXWJZ-UHFFFAOYSA-N
XLogP-2.34
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-2.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol
CID 163414163
(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 148734988
(6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 163828593
3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
CID 6421426
(2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol
CID 131010758
(2R)-2-methoxy-6-(methoxymethyl)oxane-3,4,5-triol
CID 58069229
(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol
CID 125028190
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide
CID 139295558
[(3S,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl acetate
CID 135070648
N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 156616950
2-methoxy-N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 90352180

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol?
The IUPAC name of 6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol (CID 123282538) is 6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol.
What is the SMILES notation for 6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol?
The canonical SMILES for 6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol is CNC1C(O)OC(COC)C(O)C1O.
What is the InChIKey of 6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol?
The InChIKey is LYIVXDOPQVXWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5/c1-9-5-7(11)6(10)4(3-13-2)14-8(5)12/h4-12H,3H2,1-2H3.
What are the key properties of 6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol?
6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol has a molecular weight of 207.23 g/mol, XLogP of -2.34, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol is sourced from PubChem (CID 123282538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).