(2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol

C14H21NO5 — CID 72836876

IUPAC(2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol
SMILESCOC1O[C@H](CNCc2ccccc2)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C14H21NO5/c1-19-14-13(18)12(17)11(16)10(20-14)8-15-7-9-5-3-2-4-6-9/h2-6,10-18H,7-8H2,1H3/t10-,11-,12?,13+,14?/m1/s1
InChIKeyIMINXYSREMGKIC-WCCYQHBJSA-N
MW283.32 g/mol
LogP-0.77
Rot. Bonds5

About (2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol

(2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol (PubChem CID 72836876) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is (2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol
PubChem CID72836876
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name(2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol
SMILESCOC1O[C@H](CNCc2ccccc2)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C14H21NO5/c1-19-14-13(18)12(17)11(16)10(20-14)8-15-7-9-5-3-2-4-6-9/h2-6,10-18H,7-8H2,1H3/t10-,11-,12?,13+,14?/m1/s1
InChIKeyIMINXYSREMGKIC-WCCYQHBJSA-N
XLogP-0.77
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-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,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol (CID 72836876) is (2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol is COC1O[C@H](CNCc2ccccc2)[C@@H](O)C(O)[C@@H]1O.
What is the InChIKey of (2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol?
The InChIKey is IMINXYSREMGKIC-WCCYQHBJSA-N. The full InChI is InChI=1S/C14H21NO5/c1-19-14-13(18)12(17)11(16)10(20-14)8-15-7-9-5-3-2-4-6-9/h2-6,10-18H,7-8H2,1H3/t10-,11-,12?,13+,14?/m1/s1.
What are the key properties of (2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol?
(2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol has a molecular weight of 283.32 g/mol, XLogP of -0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 72836876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).