(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(4-methylanilino)oxane-3,5-diol

C14H21NO5 — CID 155518448

IUPAC(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(4-methylanilino)oxane-3,5-diol
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](Nc2ccc(C)cc2)[C@H]1O
InChIInChI=1S/C14H21NO5/c1-8-3-5-9(6-4-8)15-11-12(17)10(7-16)20-14(19-2)13(11)18/h3-6,10-18H,7H2,1-2H3/t10-,11-,12+,13-,14-/m1/s1
InChIKeyUIQTVNGYLBECDT-RKQHYHRCSA-N
MW283.32 g/mol
LogP-0.14
Rot. Bonds4

About (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(4-methylanilino)oxane-3,5-diol

(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(4-methylanilino)oxane-3,5-diol (PubChem CID 155518448) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(4-methylanilino)oxane-3,5-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(4-methylanilino)oxane-3,5-diol
PubChem CID155518448
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(4-methylanilino)oxane-3,5-diol
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](Nc2ccc(C)cc2)[C@H]1O
InChIInChI=1S/C14H21NO5/c1-8-3-5-9(6-4-8)15-11-12(17)10(7-16)20-14(19-2)13(11)18/h3-6,10-18H,7H2,1-2H3/t10-,11-,12+,13-,14-/m1/s1
InChIKeyUIQTVNGYLBECDT-RKQHYHRCSA-N
XLogP-0.14
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 5-0.14
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)-2-(hydroxymethyl)-6-methoxy-4-(4-methylanilino)oxane-3,5-diol?
The IUPAC name of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(4-methylanilino)oxane-3,5-diol (CID 155518448) is (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(4-methylanilino)oxane-3,5-diol.
What is the SMILES notation for (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(4-methylanilino)oxane-3,5-diol?
The canonical SMILES for (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(4-methylanilino)oxane-3,5-diol is CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](Nc2ccc(C)cc2)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(4-methylanilino)oxane-3,5-diol?
The InChIKey is UIQTVNGYLBECDT-RKQHYHRCSA-N. The full InChI is InChI=1S/C14H21NO5/c1-8-3-5-9(6-4-8)15-11-12(17)10(7-16)20-14(19-2)13(11)18/h3-6,10-18H,7H2,1-2H3/t10-,11-,12+,13-,14-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(4-methylanilino)oxane-3,5-diol?
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(4-methylanilino)oxane-3,5-diol has a molecular weight of 283.32 g/mol, XLogP of -0.14, 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)-2-(hydroxymethyl)-6-methoxy-4-(4-methylanilino)oxane-3,5-diol is sourced from PubChem (CID 155518448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).