(3S,4R,5R)-2-anilinooxane-3,4,5-triol

C11H15NO4 — CID 22887314

IUPAC(3S,4R,5R)-2-anilinooxane-3,4,5-triol
SMILESO[C@@H]1[C@H](O)COC(Nc2ccccc2)[C@H]1O
InChIInChI=1S/C11H15NO4/c13-8-6-16-11(10(15)9(8)14)12-7-4-2-1-3-5-7/h1-5,8-15H,6H2/t8-,9-,10+,11?/m1/s1
InChIKeyKDWDKNMYEVXZLV-NFLHVTIKSA-N
MW225.24 g/mol
LogP-0.46
Rot. Bonds2

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

(3S,4R,5R)-2-anilinooxane-3,4,5-triol (PubChem CID 22887314) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (3S,4R,5R)-2-anilinooxane-3,4,5-triol.

Molecular Properties

Compound Name(3S,4R,5R)-2-anilinooxane-3,4,5-triol
PubChem CID22887314
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(3S,4R,5R)-2-anilinooxane-3,4,5-triol
SMILESO[C@@H]1[C@H](O)COC(Nc2ccccc2)[C@H]1O
InChIInChI=1S/C11H15NO4/c13-8-6-16-11(10(15)9(8)14)12-7-4-2-1-3-5-7/h1-5,8-15H,6H2/t8-,9-,10+,11?/m1/s1
InChIKeyKDWDKNMYEVXZLV-NFLHVTIKSA-N
XLogP-0.46
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol
CID 7452610
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,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol
CID 163181390
(2S,3R,4S,5R)-2-(3-nitroanilino)oxane-3,4,5-triol
CID 1361039
(2R,3S,4S,5S)-2-(3-nitroanilino)oxane-3,4,5-triol
CID 124797923
(2S,3R,4S,5R)-2-[4-[chloro(difluoro)methoxy]anilino]oxane-3,4,5-triol
CID 124767321
(2R,3S,4R,5R)-2-(3-nitro-5-phenylsulfanylanilino)oxane-3,4,5-triol
CID 7123834
(2R,3R,4S,5S)-2-(2-nitroanilino)oxane-3,4,5-triol
CID 124728370
(2R,3S,4S,5S)-2-(2-nitroanilino)oxane-3,4,5-triol
CID 124728371
(2R,3R,4R,5R)-2-(2-nitroanilino)oxane-3,4,5-triol
CID 7065335
(2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol
CID 99641703

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-2-anilinooxane-3,4,5-triol?
The IUPAC name of (3S,4R,5R)-2-anilinooxane-3,4,5-triol (CID 22887314) is (3S,4R,5R)-2-anilinooxane-3,4,5-triol.
What is the SMILES notation for (3S,4R,5R)-2-anilinooxane-3,4,5-triol?
The canonical SMILES for (3S,4R,5R)-2-anilinooxane-3,4,5-triol is O[C@@H]1[C@H](O)COC(Nc2ccccc2)[C@H]1O.
What is the InChIKey of (3S,4R,5R)-2-anilinooxane-3,4,5-triol?
The InChIKey is KDWDKNMYEVXZLV-NFLHVTIKSA-N. The full InChI is InChI=1S/C11H15NO4/c13-8-6-16-11(10(15)9(8)14)12-7-4-2-1-3-5-7/h1-5,8-15H,6H2/t8-,9-,10+,11?/m1/s1.
What are the key properties of (3S,4R,5R)-2-anilinooxane-3,4,5-triol?
(3S,4R,5R)-2-anilinooxane-3,4,5-triol has a molecular weight of 225.24 g/mol, XLogP of -0.46, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-2-anilinooxane-3,4,5-triol is sourced from PubChem (CID 22887314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).