(2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol

C16H18O5 — CID 73350461

IUPAC(2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](OCc2ccc3ccccc3c2)OC[C@H]1O
InChIInChI=1S/C16H18O5/c17-13-9-21-16(15(19)14(13)18)20-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-19H,8-9H2/t13-,14+,15-,16-/m1/s1
InChIKeyFVARSQGNZSZRHJ-QKPAOTATSA-N
MW290.31 g/mol
LogP0.80
Rot. Bonds3

About (2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol

(2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol (PubChem CID 73350461) has the molecular formula C16H18O5 and a molecular weight of 290.31 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol
PubChem CID73350461
Molecular FormulaC16H18O5
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name(2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](OCc2ccc3ccccc3c2)OC[C@H]1O
InChIInChI=1S/C16H18O5/c17-13-9-21-16(15(19)14(13)18)20-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-19H,8-9H2/t13-,14+,15-,16-/m1/s1
InChIKeyFVARSQGNZSZRHJ-QKPAOTATSA-N
XLogP0.80
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 46908929
CID 46908929
CID 6850837
CID 6850837
CID 9866479
CID 9866479
CID 18666587
CID 18666587
CID 58995446
CID 58995446
CID 10926424
CID 10926424
CID 134498385
CID 134498385
CID 9797582
CID 9797582
CID 9798876
CID 9798876
CID 9862956
CID 9862956
CID 9929398
CID 9929398
CID 10125816
CID 10125816

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol (CID 73350461) is (2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@H](OCc2ccc3ccccc3c2)OC[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol?
The InChIKey is FVARSQGNZSZRHJ-QKPAOTATSA-N. The full InChI is InChI=1S/C16H18O5/c17-13-9-21-16(15(19)14(13)18)20-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-19H,8-9H2/t13-,14+,15-,16-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol?
(2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol has a molecular weight of 290.31 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol is sourced from PubChem (CID 73350461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).