(2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C13H19NO6 — CID 90672925

IUPAC(2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNCc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C13H19NO6/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-13,15-18H,5-6,14H2/t9-,10-,11+,12+,13+/m1/s1
InChIKeyACYIXPATRLMHEU-BNDIWNMDSA-N
MW285.30 g/mol
LogP-1.68
Rot. Bonds4

About (2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 90672925) has the molecular formula C13H19NO6 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID90672925
Molecular FormulaC13H19NO6
Molecular Weight285.30 g/mol
Exact Mass285.12
IUPAC Name(2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNCc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C13H19NO6/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-13,15-18H,5-6,14H2/t9-,10-,11+,12+,13+/m1/s1
InChIKeyACYIXPATRLMHEU-BNDIWNMDSA-N
XLogP-1.68
TPSA125.40 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-1.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 90672925) is (2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is NCc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1.
What is the InChIKey of (2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is ACYIXPATRLMHEU-BNDIWNMDSA-N. The full InChI is InChI=1S/C13H19NO6/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-13,15-18H,5-6,14H2/t9-,10-,11+,12+,13+/m1/s1.
What are the key properties of (2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 285.30 g/mol, XLogP of -1.68, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 90672925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).