(2R,3R,4R,5R,6R)-4-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol

C13H19NO5 — CID 155537041

IUPAC(2R,3R,4R,5R,6R)-4-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](Nc2ccccc2)[C@H]1O
InChIInChI=1S/C13H19NO5/c1-18-13-12(17)10(11(16)9(7-15)19-13)14-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10-,11+,12-,13-/m1/s1
InChIKeyUTXFFGZEKCFIGY-UJPOAAIJSA-N
MW269.30 g/mol
LogP-0.45
Rot. Bonds4

About (2R,3R,4R,5R,6R)-4-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol

(2R,3R,4R,5R,6R)-4-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol (PubChem CID 155537041) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-4-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-4-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
PubChem CID155537041
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name(2R,3R,4R,5R,6R)-4-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](Nc2ccccc2)[C@H]1O
InChIInChI=1S/C13H19NO5/c1-18-13-12(17)10(11(16)9(7-15)19-13)14-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10-,11+,12-,13-/m1/s1
InChIKeyUTXFFGZEKCFIGY-UJPOAAIJSA-N
XLogP-0.45
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-4-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol?
The IUPAC name of (2R,3R,4R,5R,6R)-4-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol (CID 155537041) is (2R,3R,4R,5R,6R)-4-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol.
What is the SMILES notation for (2R,3R,4R,5R,6R)-4-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol?
The canonical SMILES for (2R,3R,4R,5R,6R)-4-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol is CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](Nc2ccccc2)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R,6R)-4-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol?
The InChIKey is UTXFFGZEKCFIGY-UJPOAAIJSA-N. The full InChI is InChI=1S/C13H19NO5/c1-18-13-12(17)10(11(16)9(7-15)19-13)14-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10-,11+,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-4-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol?
(2R,3R,4R,5R,6R)-4-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol has a molecular weight of 269.30 g/mol, XLogP of -0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-4-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol is sourced from PubChem (CID 155537041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).