2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol

C6H13NO6 — CID 18417383

IUPAC2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C6H13NO6/c7-13-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2
InChIKeyRHMWVNFRRRZAAQ-UHFFFAOYSA-N
MW195.17 g/mol
LogP-3.32
Rot. Bonds2

About 2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol

2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 18417383) has the molecular formula C6H13NO6 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID18417383
Molecular FormulaC6H13NO6
Molecular Weight195.17 g/mol
Exact Mass195.07
IUPAC Name2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C6H13NO6/c7-13-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2
InChIKeyRHMWVNFRRRZAAQ-UHFFFAOYSA-N
XLogP-3.32
TPSA125.40 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 5-3.32
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,3R,4S,5R,6R)-2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 57275927
(2R,3S,4S,5S,6R)-2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11480996
(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
(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
(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 70386984
(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
(2R,3S,6R)-2-(hydroxymethyl)-6-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 118137522
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol;dihydrate
CID 53393673
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2S,3R,4S,5S,6R)-2-(hydroxymethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 174826658

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 18417383) is 2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol is NOC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is RHMWVNFRRRZAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO6/c7-13-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2.
What are the key properties of 2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol?
2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 195.17 g/mol, XLogP of -3.32, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 18417383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).