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

C19H22O7 — CID 102054399

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(4-methoxyphenyl)phenoxy]oxane-3,4,5-triol
SMILESCOc1ccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1
InChIInChI=1S/C19H22O7/c1-24-13-6-2-11(3-7-13)12-4-8-14(9-5-12)25-19-18(23)17(22)16(21)15(10-20)26-19/h2-9,15-23H,10H2,1H3/t15-,16-,17+,18-,19-/m1/s1
InChIKeyVSYYCRYDWXHRMC-UJWQCDCRSA-N
MW362.38 g/mol
LogP0.54
Rot. Bonds5

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

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(4-methoxyphenyl)phenoxy]oxane-3,4,5-triol (PubChem CID 102054399) has the molecular formula C19H22O7 and a molecular weight of 362.38 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(4-methoxyphenyl)phenoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(4-methoxyphenyl)phenoxy]oxane-3,4,5-triol
PubChem CID102054399
Molecular FormulaC19H22O7
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(4-methoxyphenyl)phenoxy]oxane-3,4,5-triol
SMILESCOc1ccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1
InChIInChI=1S/C19H22O7/c1-24-13-6-2-11(3-7-13)12-4-8-14(9-5-12)25-19-18(23)17(22)16(21)15(10-20)26-19/h2-9,15-23H,10H2,1H3/t15-,16-,17+,18-,19-/m1/s1
InChIKeyVSYYCRYDWXHRMC-UJWQCDCRSA-N
XLogP0.54
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 50.54
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-[4-(4-methoxyphenyl)phenoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(4-methoxyphenyl)phenoxy]oxane-3,4,5-triol (CID 102054399) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(4-methoxyphenyl)phenoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(4-methoxyphenyl)phenoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(4-methoxyphenyl)phenoxy]oxane-3,4,5-triol is COc1ccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(4-methoxyphenyl)phenoxy]oxane-3,4,5-triol?
The InChIKey is VSYYCRYDWXHRMC-UJWQCDCRSA-N. The full InChI is InChI=1S/C19H22O7/c1-24-13-6-2-11(3-7-13)12-4-8-14(9-5-12)25-19-18(23)17(22)16(21)15(10-20)26-19/h2-9,15-23H,10H2,1H3/t15-,16-,17+,18-,19-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(4-methoxyphenyl)phenoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(4-methoxyphenyl)phenoxy]oxane-3,4,5-triol has a molecular weight of 362.38 g/mol, XLogP of 0.54, 5 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-[4-(4-methoxyphenyl)phenoxy]oxane-3,4,5-triol is sourced from PubChem (CID 102054399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).