(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol

C12H16NO8- — CID 163119494

IUPAC(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol
SMILES[O-]N(O)c1ccccc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H16NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-18H,5H2/q-1/t8-,9+,10-,11+,12+/m1/s1
InChIKeyMOASSJPYZOAUOT-LVEVGFFFSA-N
MW302.26 g/mol
LogP-1.44
Rot. Bonds4

About (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol

(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol (PubChem CID 163119494) has the molecular formula C12H16NO8- and a molecular weight of 302.26 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol
PubChem CID163119494
Molecular FormulaC12H16NO8-
Molecular Weight302.26 g/mol
Exact Mass302.09
IUPAC Name(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol
SMILES[O-]N(O)c1ccccc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H16NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-18H,5H2/q-1/t8-,9+,10-,11+,12+/m1/s1
InChIKeyMOASSJPYZOAUOT-LVEVGFFFSA-N
XLogP-1.44
TPSA145.91 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 5-1.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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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
(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,4S,5S)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
CID 54014803
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
CID 21252322
(3S,4S,5S,6R)-2-(2-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 68735810
(2S,3S,4R,5S,6S)-2-(2-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7164150
2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol
CID 161416255
N-hydroxy-2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzeneamine oxide
CID 163119485
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid
CID 10979933
(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
CID 70003357

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol (CID 163119494) is (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol is [O-]N(O)c1ccccc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol?
The InChIKey is MOASSJPYZOAUOT-LVEVGFFFSA-N. The full InChI is InChI=1S/C12H16NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-18H,5H2/q-1/t8-,9+,10-,11+,12+/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol?
(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol has a molecular weight of 302.26 g/mol, XLogP of -1.44, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[hydroxy(oxido)amino]phenoxy]oxane-3,4,5-triol is sourced from PubChem (CID 163119494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).