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

C11H15NO4 — CID 1281159

IUPAC(2R,3R,4S,5R)-2-anilinooxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](Nc2ccccc2)OC[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-LMLFDSFASA-N
MW225.24 g/mol
LogP-0.46
Rot. Bonds2

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

(2R,3R,4S,5R)-2-anilinooxane-3,4,5-triol (PubChem CID 1281159) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-anilinooxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-anilinooxane-3,4,5-triol
PubChem CID1281159
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2R,3R,4S,5R)-2-anilinooxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](Nc2ccccc2)OC[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-LMLFDSFASA-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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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-anilinooxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R)-2-anilinooxane-3,4,5-triol (CID 1281159) is (2R,3R,4S,5R)-2-anilinooxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R)-2-anilinooxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R)-2-anilinooxane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@H](Nc2ccccc2)OC[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-anilinooxane-3,4,5-triol?
The InChIKey is KDWDKNMYEVXZLV-LMLFDSFASA-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 (2R,3R,4S,5R)-2-anilinooxane-3,4,5-triol?
(2R,3R,4S,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 (2R,3R,4S,5R)-2-anilinooxane-3,4,5-triol is sourced from PubChem (CID 1281159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).