(2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene

C25H24O4 — CID 162037384

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene
SMILESOC[C@H]1OC(c2cccc3ccccc23)[C@H](O)[C@@H]1O.c1ccc2ccccc2c1
InChIInChI=1S/C15H16O4.C10H8/c16-8-12-13(17)14(18)15(19-12)11-7-3-5-9-4-1-2-6-10(9)11;1-2-6-10-8-4-3-7-9(10)5-1/h1-7,12-18H,8H2;1-8H/t12-,13-,14-,15?;/m1./s1
InChIKeyYWVCIOXISAZIHD-NUWOWBIJSA-N
MW388.46 g/mol
LogP3.83
Rot. Bonds2

About (2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene

(2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene (PubChem CID 162037384) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene
PubChem CID162037384
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene
SMILESOC[C@H]1OC(c2cccc3ccccc23)[C@H](O)[C@@H]1O.c1ccc2ccccc2c1
InChIInChI=1S/C15H16O4.C10H8/c16-8-12-13(17)14(18)15(19-12)11-7-3-5-9-4-1-2-6-10(9)11;1-2-6-10-8-4-3-7-9(10)5-1/h1-7,12-18H,8H2;1-8H/t12-,13-,14-,15?;/m1./s1
InChIKeyYWVCIOXISAZIHD-NUWOWBIJSA-N
XLogP3.83
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 57164696
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 174024474
(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 66870779
[(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol
CID 164966177
2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol
CID 161416255
(2R,3S,4R,5S,6R)-2-(3-chloro-2-fluorophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71730536
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol
CID 11736785
(2R,3S,4R)-2-(hydroxymethyl)-5-(2-iodo-3-pyridinyl)oxolane-3,4-diol
CID 91505027
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol
CID 155998769
(3R,4S,5S,6R)-6-(hydroxymethyl)-3-naphthalen-1-yloxane-2,3,4,5-tetrol
CID 154944068

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene (CID 162037384) is (2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene is OC[C@H]1OC(c2cccc3ccccc23)[C@H](O)[C@@H]1O.c1ccc2ccccc2c1.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene?
The InChIKey is YWVCIOXISAZIHD-NUWOWBIJSA-N. The full InChI is InChI=1S/C15H16O4.C10H8/c16-8-12-13(17)14(18)15(19-12)11-7-3-5-9-4-1-2-6-10(9)11;1-2-6-10-8-4-3-7-9(10)5-1/h1-7,12-18H,8H2;1-8H/t12-,13-,14-,15?;/m1./s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene?
(2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene has a molecular weight of 388.46 g/mol, XLogP of 3.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene is sourced from PubChem (CID 162037384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).