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

C8H17NO6 — CID 87949821

IUPAC(2R,3R,4S,5S)-3-(dimethylaminooxy)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESCN(C)O[C@@H]1[C@@H](O)[C@H](O)C(CO)O[C@H]1O
InChIInChI=1S/C8H17NO6/c1-9(2)15-7-6(12)5(11)4(3-10)14-8(7)13/h4-8,10-13H,3H2,1-2H3/t4?,5-,6+,7-,8-/m1/s1
InChIKeyRIOUOLNFMPEQRV-DRIAHNDOSA-N
MW223.22 g/mol
LogP-2.72
Rot. Bonds3

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

(2R,3R,4S,5S)-3-(dimethylaminooxy)-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 87949821) has the molecular formula C8H17NO6 and a molecular weight of 223.22 g/mol. Its IUPAC name is (2R,3R,4S,5S)-3-(dimethylaminooxy)-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-3-(dimethylaminooxy)-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID87949821
Molecular FormulaC8H17NO6
Molecular Weight223.22 g/mol
Exact Mass223.11
IUPAC Name(2R,3R,4S,5S)-3-(dimethylaminooxy)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESCN(C)O[C@@H]1[C@@H](O)[C@H](O)C(CO)O[C@H]1O
InChIInChI=1S/C8H17NO6/c1-9(2)15-7-6(12)5(11)4(3-10)14-8(7)13/h4-8,10-13H,3H2,1-2H3/t4?,5-,6+,7-,8-/m1/s1
InChIKeyRIOUOLNFMPEQRV-DRIAHNDOSA-N
XLogP-2.72
TPSA102.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 5-2.72
H-Bond Donors ≤ 54
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,3S,4R,5R,6S)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 67720038
ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 170573273
(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70232316
(3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol
CID 173027659
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4-dimethoxyoxane-2,5-diol
CID 54319991
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-prop-2-enoxyoxane-2,4,5-triol
CID 67036661
[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 56621960
(3R,4S,5S,6R)-6-(hydroxymethyl)-3-prop-2-enoxyoxane-2,4,5-triol
CID 66647373
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-3-(dimethylaminooxy)-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (2R,3R,4S,5S)-3-(dimethylaminooxy)-6-(hydroxymethyl)oxane-2,4,5-triol (CID 87949821) is (2R,3R,4S,5S)-3-(dimethylaminooxy)-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S)-3-(dimethylaminooxy)-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S)-3-(dimethylaminooxy)-6-(hydroxymethyl)oxane-2,4,5-triol is CN(C)O[C@@H]1[C@@H](O)[C@H](O)C(CO)O[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-3-(dimethylaminooxy)-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is RIOUOLNFMPEQRV-DRIAHNDOSA-N. The full InChI is InChI=1S/C8H17NO6/c1-9(2)15-7-6(12)5(11)4(3-10)14-8(7)13/h4-8,10-13H,3H2,1-2H3/t4?,5-,6+,7-,8-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-3-(dimethylaminooxy)-6-(hydroxymethyl)oxane-2,4,5-triol?
(2R,3R,4S,5S)-3-(dimethylaminooxy)-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 223.22 g/mol, XLogP of -2.72, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-3-(dimethylaminooxy)-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 87949821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).