(3R,4S,5R)-2-anilino-5-(hydroxymethyl)oxolane-3,4-diol

C11H15NO4 — CID 67981979

IUPAC(3R,4S,5R)-2-anilino-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1OC(Nc2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H15NO4/c13-6-8-9(14)10(15)11(16-8)12-7-4-2-1-3-5-7/h1-5,8-15H,6H2/t8-,9-,10-,11?/m1/s1
InChIKeyYGKTUPPJEIOGMZ-QHPFDFDXSA-N
MW225.24 g/mol
LogP-0.46
Rot. Bonds3

About (3R,4S,5R)-2-anilino-5-(hydroxymethyl)oxolane-3,4-diol

(3R,4S,5R)-2-anilino-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 67981979) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (3R,4S,5R)-2-anilino-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R)-2-anilino-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID67981979
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(3R,4S,5R)-2-anilino-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1OC(Nc2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H15NO4/c13-6-8-9(14)10(15)11(16-8)12-7-4-2-1-3-5-7/h1-5,8-15H,6H2/t8-,9-,10-,11?/m1/s1
InChIKeyYGKTUPPJEIOGMZ-QHPFDFDXSA-N
XLogP-0.46
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
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 (3R,4S,5R)-2-anilino-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (3R,4S,5R)-2-anilino-5-(hydroxymethyl)oxolane-3,4-diol (CID 67981979) is (3R,4S,5R)-2-anilino-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (3R,4S,5R)-2-anilino-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (3R,4S,5R)-2-anilino-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1OC(Nc2ccccc2)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5R)-2-anilino-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is YGKTUPPJEIOGMZ-QHPFDFDXSA-N. The full InChI is InChI=1S/C11H15NO4/c13-6-8-9(14)10(15)11(16-8)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 (3R,4S,5R)-2-anilino-5-(hydroxymethyl)oxolane-3,4-diol?
(3R,4S,5R)-2-anilino-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 225.24 g/mol, XLogP of -0.46, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-anilino-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 67981979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).