(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol

C6H13NO5 — CID 176683102

IUPAC(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol
SMILESNOC1C[C@@H](O)C(O)[C@@H](CO)O1
InChIInChI=1S/C6H13NO5/c7-12-5-1-3(9)6(10)4(2-8)11-5/h3-6,8-10H,1-2,7H2/t3-,4-,5?,6?/m1/s1
InChIKeyRQGQRWQFEJOHNL-GQNXIQCSSA-N
MW179.17 g/mol
LogP-2.29
Rot. Bonds2

About (2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol

(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 176683102) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is (2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID176683102
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol
SMILESNOC1C[C@@H](O)C(O)[C@@H](CO)O1
InChIInChI=1S/C6H13NO5/c7-12-5-1-3(9)6(10)4(2-8)11-5/h3-6,8-10H,1-2,7H2/t3-,4-,5?,6?/m1/s1
InChIKeyRQGQRWQFEJOHNL-GQNXIQCSSA-N
XLogP-2.29
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
(2R,3S,4R)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 146216338
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(2R,3R,4S,5S,6R)-2-[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91859061
[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 44608559
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
(2R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7057906
(2R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 148934060
(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70641511
(3R,4R,6S)-3-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid
CID 176877930
6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 123961966
(3S,6R)-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 71098378

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol (CID 176683102) is (2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol is NOC1C[C@@H](O)C(O)[C@@H](CO)O1.
What is the InChIKey of (2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is RQGQRWQFEJOHNL-GQNXIQCSSA-N. The full InChI is InChI=1S/C6H13NO5/c7-12-5-1-3(9)6(10)4(2-8)11-5/h3-6,8-10H,1-2,7H2/t3-,4-,5?,6?/m1/s1.
What are the key properties of (2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol?
(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 179.17 g/mol, XLogP of -2.29, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 176683102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).