(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol

C15H23NO5 — CID 44585243

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol
SMILESOCC(Cc1ccccc1)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H23NO5/c17-8-11(6-10-4-2-1-3-5-10)16-7-12-14(19)15(20)13(9-18)21-12/h1-5,11-20H,6-9H2/t11?,12-,13-,14-,15-/m1/s1
InChIKeyHURIQYZBNKIWPP-XSISWNRUSA-N
MW297.35 g/mol
LogP-1.34
Rot. Bonds7

About (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol (PubChem CID 44585243) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol
PubChem CID44585243
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol
SMILESOCC(Cc1ccccc1)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H23NO5/c17-8-11(6-10-4-2-1-3-5-10)16-7-12-14(19)15(20)13(9-18)21-12/h1-5,11-20H,6-9H2/t11?,12-,13-,14-,15-/m1/s1
InChIKeyHURIQYZBNKIWPP-XSISWNRUSA-N
XLogP-1.34
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 5-1.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol (CID 44585243) is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol is OCC(Cc1ccccc1)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol?
The InChIKey is HURIQYZBNKIWPP-XSISWNRUSA-N. The full InChI is InChI=1S/C15H23NO5/c17-8-11(6-10-4-2-1-3-5-10)16-7-12-14(19)15(20)13(9-18)21-12/h1-5,11-20H,6-9H2/t11?,12-,13-,14-,15-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol has a molecular weight of 297.35 g/mol, XLogP of -1.34, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol is sourced from PubChem (CID 44585243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).