N-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide

C12H17NO8 — CID 163119485

IUPACN-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide
SMILES[O-][NH+](O)c1ccccc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H17NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-18H,5H2/t8-,9+,10-,11-,12+/m1/s1
InChIKeyBAFAOBZDHKZMLC-ROHXPCBUSA-N
MW303.27 g/mol
LogP-2.73
Rot. Bonds4

About N-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide

N-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide (PubChem CID 163119485) has the molecular formula C12H17NO8 and a molecular weight of 303.27 g/mol. Its IUPAC name is N-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide
PubChem CID163119485
Molecular FormulaC12H17NO8
Molecular Weight303.27 g/mol
Exact Mass303.10
IUPAC NameN-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide
SMILES[O-][NH+](O)c1ccccc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H17NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-18H,5H2/t8-,9+,10-,11-,12+/m1/s1
InChIKeyBAFAOBZDHKZMLC-ROHXPCBUSA-N
XLogP-2.73
TPSA147.11 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.27
LogP ≤ 5-2.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(3S,4S,5S,6R)-2-(2-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 68735810
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 70179974
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 742489
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
CID 21252322
(2S,3S,4R,5S,6S)-2-(2-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7164150
N-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide
CID 163167958
2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol
CID 161416255
(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol
CID 163119494
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
(2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
CID 54014803
2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid
CID 10979933

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide?
The IUPAC name of N-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide (CID 163119485) is N-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide.
What is the SMILES notation for N-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide?
The canonical SMILES for N-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide is [O-][NH+](O)c1ccccc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of N-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide?
The InChIKey is BAFAOBZDHKZMLC-ROHXPCBUSA-N. The full InChI is InChI=1S/C12H17NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-18H,5H2/t8-,9+,10-,11-,12+/m1/s1.
What are the key properties of N-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide?
N-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide has a molecular weight of 303.27 g/mol, XLogP of -2.73, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide is sourced from PubChem (CID 163119485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).