(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]oxolane-3,4-diol

C18H23NO4 — CID 44585247

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]oxolane-3,4-diol
SMILESC[C@@H](NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO4/c1-11(13-7-6-12-4-2-3-5-14(12)8-13)19-9-15-17(21)18(22)16(10-20)23-15/h2-8,11,15-22H,9-10H2,1H3/t11-,15-,16-,17-,18-/m1/s1
InChIKeyRFLHZHOTKRVJMA-QXWDTAIYSA-N
MW317.38 g/mol
LogP0.97
Rot. Bonds5

About (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]oxolane-3,4-diol

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]oxolane-3,4-diol (PubChem CID 44585247) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]oxolane-3,4-diol
PubChem CID44585247
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]oxolane-3,4-diol
SMILESC[C@@H](NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO4/c1-11(13-7-6-12-4-2-3-5-14(12)8-13)19-9-15-17(21)18(22)16(10-20)23-15/h2-8,11,15-22H,9-10H2,1H3/t11-,15-,16-,17-,18-/m1/s1
InChIKeyRFLHZHOTKRVJMA-QXWDTAIYSA-N
XLogP0.97
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 50.97
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-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]oxolane-3,4-diol (CID 44585247) is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]oxolane-3,4-diol is C[C@@H](NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc2ccccc2c1.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]oxolane-3,4-diol?
The InChIKey is RFLHZHOTKRVJMA-QXWDTAIYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-11(13-7-6-12-4-2-3-5-14(12)8-13)19-9-15-17(21)18(22)16(10-20)23-15/h2-8,11,15-22H,9-10H2,1H3/t11-,15-,16-,17-,18-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]oxolane-3,4-diol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]oxolane-3,4-diol has a molecular weight of 317.38 g/mol, XLogP of 0.97, 5 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-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]oxolane-3,4-diol is sourced from PubChem (CID 44585247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).