(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol

C23H30O11 — CID 141322787

IUPAC(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol
SMILESOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@](O)(Cc3ccc4ccccc4c3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C23H30O11/c24-9-14-16(26)17(27)18(28)22(32-14)33-20-15(10-25)34-23(31,21(30)19(20)29)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,14-22,24-31H,8-10H2/t14-,15-,16+,17+,18-,19+,20-,21-,22+,23-/m1/s1
InChIKeyKWUXWZCNCVRNTD-TXQQHVIPSA-N
MW482.48 g/mol
LogP-2.63
Rot. Bonds6

About (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol

(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol (PubChem CID 141322787) has the molecular formula C23H30O11 and a molecular weight of 482.48 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol
PubChem CID141322787
Molecular FormulaC23H30O11
Molecular Weight482.48 g/mol
Exact Mass482.18
IUPAC Name(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol
SMILESOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@](O)(Cc3ccc4ccccc4c3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C23H30O11/c24-9-14-16(26)17(27)18(28)22(32-14)33-20-15(10-25)34-23(31,21(30)19(20)29)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,14-22,24-31H,8-10H2/t14-,15-,16+,17+,18-,19+,20-,21-,22+,23-/m1/s1
InChIKeyKWUXWZCNCVRNTD-TXQQHVIPSA-N
XLogP-2.63
TPSA189.53 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500482.48
LogP ≤ 5-2.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol with MolForge

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Related Compounds

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2-Phenylethyl beta-primeveroside
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Phenethyl sophoroside
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CID 10949721
(2R,3R,4S,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylbenzyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 46881659
(3S,3'R,4'S,5'S,6'R)-6'-methyl-5-(naphthalen-2-ylmethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
CID 135360652
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-[[4-[[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]disulfanyl]methyl]naphthalen-1-yl]methyldisulfanyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 132569687
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-methoxy-3-(11-pyren-1-ylundecoxy)propoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162670956
(2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-(2-naphthyl)-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 11524286

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol?
The IUPAC name of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol (CID 141322787) is (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol?
The canonical SMILES for (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol is OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@](O)(Cc3ccc4ccccc4c3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol?
The InChIKey is KWUXWZCNCVRNTD-TXQQHVIPSA-N. The full InChI is InChI=1S/C23H30O11/c24-9-14-16(26)17(27)18(28)22(32-14)33-20-15(10-25)34-23(31,21(30)19(20)29)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,14-22,24-31H,8-10H2/t14-,15-,16+,17+,18-,19+,20-,21-,22+,23-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol?
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol has a molecular weight of 482.48 g/mol, XLogP of -2.63, 6 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(naphthalen-2-ylmethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol is sourced from PubChem (CID 141322787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).