(2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol

C11H15NO5 — CID 7452610

IUPAC(2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol
SMILESOc1ccc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C11H15NO5/c13-7-3-1-6(2-4-7)12-11-10(16)9(15)8(14)5-17-11/h1-4,8-16H,5H2/t8-,9-,10+,11-/m1/s1
InChIKeyHDWNWEZUZNQNHS-CHWFTXMASA-N
MW241.24 g/mol
LogP-0.76
Rot. Bonds2

About (2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol

(2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol (PubChem CID 7452610) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol
PubChem CID7452610
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol
SMILESOc1ccc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C11H15NO5/c13-7-3-1-6(2-4-7)12-11-10(16)9(15)8(14)5-17-11/h1-4,8-16H,5H2/t8-,9-,10+,11-/m1/s1
InChIKeyHDWNWEZUZNQNHS-CHWFTXMASA-N
XLogP-0.76
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(3S,4R,5R)-2-anilinooxane-3,4,5-triol
CID 22887314
4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide
CID 131843395
4-[[(2R,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide
CID 71457958
(2S,3R,4S,5R)-2-[4-[chloro(difluoro)methoxy]anilino]oxane-3,4,5-triol
CID 124767321
(2S,3R,4R,5R,6S)-2-(4-hydroxyanilino)-6-methyloxane-3,4,5-triol
CID 124751187
(2R,3S,4S,5S,6R)-2-(4-hydroxyanilino)-6-methyloxane-3,4,5-triol
CID 7300080
(3S,4S,5S,6R)-2-(4-hydroxyanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 25250791
2-[3-[hydroxy(oxido)amino]-4-methylanilino]oxane-3,4,5-triol
CID 163171285
(2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol
CID 163181390
[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid
CID 70131002
2-nitro-4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonic acid
CID 42533832
4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol
CID 131701513

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol (CID 7452610) is (2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol is Oc1ccc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1.
What is the InChIKey of (2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol?
The InChIKey is HDWNWEZUZNQNHS-CHWFTXMASA-N. The full InChI is InChI=1S/C11H15NO5/c13-7-3-1-6(2-4-7)12-11-10(16)9(15)8(14)5-17-11/h1-4,8-16H,5H2/t8-,9-,10+,11-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol?
(2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol has a molecular weight of 241.24 g/mol, XLogP of -0.76, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol is sourced from PubChem (CID 7452610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).