(2R,3R,4R,5R)-2-(hydroxymethyl)-6-naphthalen-2-yloxane-3,4,5-triol

C16H18O5 — CID 91045742

IUPAC(2R,3R,4R,5R)-2-(hydroxymethyl)-6-naphthalen-2-yloxane-3,4,5-triol
SMILESOC[C@H]1OC(c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H18O5/c17-8-12-13(18)14(19)15(20)16(21-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-20H,8H2/t12-,13+,14+,15-,16?/m1/s1
InChIKeyBHVNWKWHZXSINO-RRMRAIHUSA-N
MW290.31 g/mol
LogP0.35
Rot. Bonds2

About (2R,3R,4R,5R)-2-(hydroxymethyl)-6-naphthalen-2-yloxane-3,4,5-triol

(2R,3R,4R,5R)-2-(hydroxymethyl)-6-naphthalen-2-yloxane-3,4,5-triol (PubChem CID 91045742) has the molecular formula C16H18O5 and a molecular weight of 290.31 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(hydroxymethyl)-6-naphthalen-2-yloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(hydroxymethyl)-6-naphthalen-2-yloxane-3,4,5-triol
PubChem CID91045742
Molecular FormulaC16H18O5
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name(2R,3R,4R,5R)-2-(hydroxymethyl)-6-naphthalen-2-yloxane-3,4,5-triol
SMILESOC[C@H]1OC(c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H18O5/c17-8-12-13(18)14(19)15(20)16(21-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-20H,8H2/t12-,13+,14+,15-,16?/m1/s1
InChIKeyBHVNWKWHZXSINO-RRMRAIHUSA-N
XLogP0.35
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-6-naphthalen-2-yloxane-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-6-naphthalen-2-yloxane-3,4,5-triol (CID 91045742) is (2R,3R,4R,5R)-2-(hydroxymethyl)-6-naphthalen-2-yloxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(hydroxymethyl)-6-naphthalen-2-yloxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R)-2-(hydroxymethyl)-6-naphthalen-2-yloxane-3,4,5-triol is OC[C@H]1OC(c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-(hydroxymethyl)-6-naphthalen-2-yloxane-3,4,5-triol?
The InChIKey is BHVNWKWHZXSINO-RRMRAIHUSA-N. The full InChI is InChI=1S/C16H18O5/c17-8-12-13(18)14(19)15(20)16(21-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-20H,8H2/t12-,13+,14+,15-,16?/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(hydroxymethyl)-6-naphthalen-2-yloxane-3,4,5-triol?
(2R,3R,4R,5R)-2-(hydroxymethyl)-6-naphthalen-2-yloxane-3,4,5-triol has a molecular weight of 290.31 g/mol, XLogP of 0.35, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(hydroxymethyl)-6-naphthalen-2-yloxane-3,4,5-triol is sourced from PubChem (CID 91045742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).