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

C20H24O7 — CID 163196276

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol
SMILESCOc1ccc(Cc2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1
InChIInChI=1S/C20H24O7/c1-25-14-7-5-12(6-8-14)9-13-3-2-4-15(10-13)26-20-19(24)18(23)17(22)16(11-21)27-20/h2-8,10,16-24H,9,11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
InChIKeyUUJGQDYRNYTUFA-OUUBHVDSSA-N
MW376.41 g/mol
LogP0.46
Rot. Bonds6

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

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol (PubChem CID 163196276) has the molecular formula C20H24O7 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol
PubChem CID163196276
Molecular FormulaC20H24O7
Molecular Weight376.41 g/mol
Exact Mass376.15
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol
SMILESCOc1ccc(Cc2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1
InChIInChI=1S/C20H24O7/c1-25-14-7-5-12(6-8-14)9-13-3-2-4-15(10-13)26-20-19(24)18(23)17(22)16(11-21)27-20/h2-8,10,16-24H,9,11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
InChIKeyUUJGQDYRNYTUFA-OUUBHVDSSA-N
XLogP0.46
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol (CID 163196276) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol is COc1ccc(Cc2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol?
The InChIKey is UUJGQDYRNYTUFA-OUUBHVDSSA-N. The full InChI is InChI=1S/C20H24O7/c1-25-14-7-5-12(6-8-14)9-13-3-2-4-15(10-13)26-20-19(24)18(23)17(22)16(11-21)27-20/h2-8,10,16-24H,9,11H2,1H3/t16-,17-,18+,19-,20-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol has a molecular weight of 376.41 g/mol, XLogP of 0.46, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol is sourced from PubChem (CID 163196276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).