(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol

C7H15NO6 — CID 138645739

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol
SMILESCNO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H15NO6/c1-8-14-7-6(12)5(11)4(10)3(2-9)13-7/h3-12H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1
InChIKeyXASMMWLOXYETHT-ZFYZTMLRSA-N
MW209.20 g/mol
LogP-3.06
Rot. Bonds3

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol (PubChem CID 138645739) has the molecular formula C7H15NO6 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol
PubChem CID138645739
Molecular FormulaC7H15NO6
Molecular Weight209.20 g/mol
Exact Mass209.09
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol
SMILESCNO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H15NO6/c1-8-14-7-6(12)5(11)4(10)3(2-9)13-7/h3-12H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1
InChIKeyXASMMWLOXYETHT-ZFYZTMLRSA-N
XLogP-3.06
TPSA111.41 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-3.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 51579139
(2S,4R,5R)-2-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 118428901
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 162947044
(3R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 71034150
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 18652485

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol (CID 138645739) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol is CNO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol?
The InChIKey is XASMMWLOXYETHT-ZFYZTMLRSA-N. The full InChI is InChI=1S/C7H15NO6/c1-8-14-7-6(12)5(11)4(10)3(2-9)13-7/h3-12H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol has a molecular weight of 209.20 g/mol, XLogP of -3.06, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol is sourced from PubChem (CID 138645739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).