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

C19H23NO4 — CID 44585380

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(4-phenylphenyl)methylamino]methyl]oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](CNCc2ccc(-c3ccccc3)cc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H23NO4/c21-12-17-19(23)18(22)16(24-17)11-20-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-23H,10-12H2/t16-,17-,18-,19-/m1/s1
InChIKeyONUMPYAAMCJXBN-NCXUSEDFSA-N
MW329.40 g/mol
LogP0.92
Rot. Bonds6

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

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(4-phenylphenyl)methylamino]methyl]oxolane-3,4-diol (PubChem CID 44585380) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(4-phenylphenyl)methylamino]methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(4-phenylphenyl)methylamino]methyl]oxolane-3,4-diol
PubChem CID44585380
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(4-phenylphenyl)methylamino]methyl]oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](CNCc2ccc(-c3ccccc3)cc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H23NO4/c21-12-17-19(23)18(22)16(24-17)11-20-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-23H,10-12H2/t16-,17-,18-,19-/m1/s1
InChIKeyONUMPYAAMCJXBN-NCXUSEDFSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(4-phenylphenyl)methylamino]methyl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(4-phenylphenyl)methylamino]methyl]oxolane-3,4-diol (CID 44585380) is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(4-phenylphenyl)methylamino]methyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(4-phenylphenyl)methylamino]methyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(4-phenylphenyl)methylamino]methyl]oxolane-3,4-diol is OC[C@H]1O[C@H](CNCc2ccc(-c3ccccc3)cc2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(4-phenylphenyl)methylamino]methyl]oxolane-3,4-diol?
The InChIKey is ONUMPYAAMCJXBN-NCXUSEDFSA-N. The full InChI is InChI=1S/C19H23NO4/c21-12-17-19(23)18(22)16(24-17)11-20-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-23H,10-12H2/t16-,17-,18-,19-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(4-phenylphenyl)methylamino]methyl]oxolane-3,4-diol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(4-phenylphenyl)methylamino]methyl]oxolane-3,4-diol has a molecular weight of 329.40 g/mol, XLogP of 0.92, 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-(hydroxymethyl)-5-[[(4-phenylphenyl)methylamino]methyl]oxolane-3,4-diol is sourced from PubChem (CID 44585380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).