(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]phenyl]oxane-3,4,5-triol

C20H24O5 — CID 10236901

IUPAC(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]phenyl]oxane-3,4,5-triol
SMILESCc1cccc(Cc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)c1
InChIInChI=1S/C20H24O5/c1-12-4-2-5-13(8-12)9-14-6-3-7-15(10-14)20-19(24)18(23)17(22)16(11-21)25-20/h2-8,10,16-24H,9,11H2,1H3/t16-,17-,18+,19-,20+/m1/s1
InChIKeyGMIUHEOBZYBBHN-OBKDMQGPSA-N
MW344.41 g/mol
LogP1.10
Rot. Bonds4

About (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]phenyl]oxane-3,4,5-triol

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]phenyl]oxane-3,4,5-triol (PubChem CID 10236901) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]phenyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]phenyl]oxane-3,4,5-triol
PubChem CID10236901
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]phenyl]oxane-3,4,5-triol
SMILESCc1cccc(Cc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)c1
InChIInChI=1S/C20H24O5/c1-12-4-2-5-13(8-12)9-14-6-3-7-15(10-14)20-19(24)18(23)17(22)16(11-21)25-20/h2-8,10,16-24H,9,11H2,1H3/t16-,17-,18+,19-,20+/m1/s1
InChIKeyGMIUHEOBZYBBHN-OBKDMQGPSA-N
XLogP1.10
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]phenyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]phenyl]oxane-3,4,5-triol (CID 10236901) is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]phenyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]phenyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]phenyl]oxane-3,4,5-triol is Cc1cccc(Cc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)c1.
What is the InChIKey of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]phenyl]oxane-3,4,5-triol?
The InChIKey is GMIUHEOBZYBBHN-OBKDMQGPSA-N. The full InChI is InChI=1S/C20H24O5/c1-12-4-2-5-13(8-12)9-14-6-3-7-15(10-14)20-19(24)18(23)17(22)16(11-21)25-20/h2-8,10,16-24H,9,11H2,1H3/t16-,17-,18+,19-,20+/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]phenyl]oxane-3,4,5-triol?
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]phenyl]oxane-3,4,5-triol has a molecular weight of 344.41 g/mol, XLogP of 1.10, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]phenyl]oxane-3,4,5-triol is sourced from PubChem (CID 10236901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).