2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol

C14H27NO10 — CID 154627433

IUPAC2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol
SMILESCOCC1OC(OCC2OC(C)C(ON)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C14H27NO10/c1-5-13(25-15)11(19)9(17)7(23-5)4-22-14-12(20)10(18)8(16)6(24-14)3-21-2/h5-14,16-20H,3-4,15H2,1-2H3
InChIKeyJHGGJFBSYYOYMW-UHFFFAOYSA-N
MW369.37 g/mol
LogP-3.78
Rot. Bonds6

About 2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol

2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol (PubChem CID 154627433) has the molecular formula C14H27NO10 and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol
PubChem CID154627433
Molecular FormulaC14H27NO10
Molecular Weight369.37 g/mol
Exact Mass369.16
IUPAC Name2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol
SMILESCOCC1OC(OCC2OC(C)C(ON)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C14H27NO10/c1-5-13(25-15)11(19)9(17)7(23-5)4-22-14-12(20)10(18)8(16)6(24-14)3-21-2/h5-14,16-20H,3-4,15H2,1-2H3
InChIKeyJHGGJFBSYYOYMW-UHFFFAOYSA-N
XLogP-3.78
TPSA173.32 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500369.37
LogP ≤ 5-3.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4R,5S)-5-[(2R,4R,5S)-5-[(2R,4S,5S)-6-[[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 157421087
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5R)-4,5,6-trihydroxy-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 91861088
(2R,3R,5R)-2-[[(3R,5R,6S)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 58183858
(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-octoxyoxolan-2-yl]methoxy]-5-(methoxymethyl)oxolane-3,4-diol
CID 11165716
(2R)-2-methoxy-6-(methoxymethyl)oxane-3,4,5-triol
CID 58069229
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S,3S,4S,5R,6R)-5,6-dihydroxy-4-methoxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91851624
(3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91857333
4-methoxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxycyclohexane-1,2,3,5-tetrol
CID 162978091
(2R,3S,4S,5R,6R)-2-[[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-methoxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
CID 162940353
(2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol
CID 171051882
(3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91851507
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 10926361

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol (CID 154627433) is 2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol is COCC1OC(OCC2OC(C)C(ON)C(O)C2O)C(O)C(O)C1O.
What is the InChIKey of 2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol?
The InChIKey is JHGGJFBSYYOYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO10/c1-5-13(25-15)11(19)9(17)7(23-5)4-22-14-12(20)10(18)8(16)6(24-14)3-21-2/h5-14,16-20H,3-4,15H2,1-2H3.
What are the key properties of 2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol?
2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol has a molecular weight of 369.37 g/mol, XLogP of -3.78, 6 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 154627433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).