(2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol

C19H23NO4 — CID 44585382

IUPAC(2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](CNC(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H23NO4/c21-12-16-19(23)18(22)15(24-16)11-20-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-23H,11-12H2/t15-,16-,18-,19-/m1/s1
InChIKeyIMLQZIXOJOMEMG-PSBWJHGTSA-N
MW329.40 g/mol
LogP0.85
Rot. Bonds6

About (2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 44585382) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID44585382
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](CNC(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H23NO4/c21-12-16-19(23)18(22)15(24-16)11-20-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-23H,11-12H2/t15-,16-,18-,19-/m1/s1
InChIKeyIMLQZIXOJOMEMG-PSBWJHGTSA-N
XLogP0.85
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol 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,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 44585382) is (2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1O[C@H](CNC(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is IMLQZIXOJOMEMG-PSBWJHGTSA-N. The full InChI is InChI=1S/C19H23NO4/c21-12-16-19(23)18(22)15(24-16)11-20-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-23H,11-12H2/t15-,16-,18-,19-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 329.40 g/mol, XLogP of 0.85, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 44585382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).