(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol

C18H23NO5 — CID 155998769

IUPAC(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](CNCc2cccc3ccccc23)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H23NO5/c20-10-15-17(22)18(23)16(21)14(24-15)9-19-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14-23H,8-10H2/t14-,15+,16+,17+,18+/m0/s1
InChIKeyFZPKAGGABGIYBT-YYWYGQEZSA-N
MW333.38 g/mol
LogP-0.23
Rot. Bonds5

About (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol

(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol (PubChem CID 155998769) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol
PubChem CID155998769
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](CNCc2cccc3ccccc23)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H23NO5/c20-10-15-17(22)18(23)16(21)14(24-15)9-19-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14-23H,8-10H2/t14-,15+,16+,17+,18+/m0/s1
InChIKeyFZPKAGGABGIYBT-YYWYGQEZSA-N
XLogP-0.23
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 5-0.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol (CID 155998769) is (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol is OC[C@H]1O[C@@H](CNCc2cccc3ccccc23)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol?
The InChIKey is FZPKAGGABGIYBT-YYWYGQEZSA-N. The full InChI is InChI=1S/C18H23NO5/c20-10-15-17(22)18(23)16(21)14(24-15)9-19-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14-23H,8-10H2/t14-,15+,16+,17+,18+/m0/s1.
What are the key properties of (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol?
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol has a molecular weight of 333.38 g/mol, XLogP of -0.23, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol is sourced from PubChem (CID 155998769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).