(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol

C19H24O5 — CID 118796343

IUPAC(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](CCCc2cccc3ccccc23)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H24O5/c20-11-16-18(22)19(23)17(21)15(24-16)10-4-8-13-7-3-6-12-5-1-2-9-14(12)13/h1-3,5-7,9,15-23H,4,8,10-11H2/t15-,16-,17-,18-,19-/m1/s1
InChIKeyRCVLTURVGCLYEX-FVVUREQNSA-N
MW332.40 g/mol
LogP1.00
Rot. Bonds5

About (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol

(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol (PubChem CID 118796343) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol
PubChem CID118796343
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](CCCc2cccc3ccccc23)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H24O5/c20-11-16-18(22)19(23)17(21)15(24-16)10-4-8-13-7-3-6-12-5-1-2-9-14(12)13/h1-3,5-7,9,15-23H,4,8,10-11H2/t15-,16-,17-,18-,19-/m1/s1
InChIKeyRCVLTURVGCLYEX-FVVUREQNSA-N
XLogP1.00
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4R,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylphenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 9929398
(2S,3R,4R,5S,6R)-2-Biphenyl-3-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
CID 9839914
(2S,3R,4R,5R,6R)-2-(3-(4-ethylbenzyl)-4-methylphenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 46881708
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(3-methylphenyl)phenyl]oxane-3,4,5-triol
CID 9883971
(2S,3R,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylphenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,5-diol
CID 46881662
(2S,3R,4S,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylphenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 46881707
[(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol
CID 71458452
[(2R,6S)-6-naphthalen-1-yloxan-2-yl]methanol
CID 71458453
1-Deoxy-1,1-bis(3,4-dimethylphenyl)hexitol
CID 242195
(2S,3R,4R,5R,6R)-2-((12S,14R,15R,16R,17R,E)-3-((E)-3-((2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)prop-1-enyl)cinnamyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 44586863
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-3-[3-[(E)-3-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-1-enyl]phenyl]prop-2-enyl]oxane-3,4,5-triol
CID 56676387
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]selanylmethyl]naphthalen-1-yl]methylselanyl]oxane-3,4,5-triol
CID 137635670

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol (CID 118796343) is (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol is OC[C@H]1O[C@H](CCCc2cccc3ccccc23)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol?
The InChIKey is RCVLTURVGCLYEX-FVVUREQNSA-N. The full InChI is InChI=1S/C19H24O5/c20-11-16-18(22)19(23)17(21)15(24-16)10-4-8-13-7-3-6-12-5-1-2-9-14(12)13/h1-3,5-7,9,15-23H,4,8,10-11H2/t15-,16-,17-,18-,19-/m1/s1.
What are the key properties of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol?
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol has a molecular weight of 332.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol is sourced from PubChem (CID 118796343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).