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

C16H22O6 — CID 44586864

IUPAC(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)prop-2-enyl]oxane-3,4,5-triol
SMILESC=C(C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccc(OC)cc1
InChIInChI=1S/C16H22O6/c1-9(10-3-5-11(21-2)6-4-10)7-12-14(18)16(20)15(19)13(8-17)22-12/h3-6,12-20H,1,7-8H2,2H3/t12-,13+,14-,15-,16+/m0/s1
InChIKeyZOFWFKGGABIZNL-XFIYOXNOSA-N
MW310.35 g/mol
LogP-0.06
Rot. Bonds5

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

(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)prop-2-enyl]oxane-3,4,5-triol (PubChem CID 44586864) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)prop-2-enyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)prop-2-enyl]oxane-3,4,5-triol
PubChem CID44586864
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Name(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)prop-2-enyl]oxane-3,4,5-triol
SMILESC=C(C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccc(OC)cc1
InChIInChI=1S/C16H22O6/c1-9(10-3-5-11(21-2)6-4-10)7-12-14(18)16(20)15(19)13(8-17)22-12/h3-6,12-20H,1,7-8H2,2H3/t12-,13+,14-,15-,16+/m0/s1
InChIKeyZOFWFKGGABIZNL-XFIYOXNOSA-N
XLogP-0.06
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)prop-2-enyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)prop-2-enyl]oxane-3,4,5-triol (CID 44586864) is (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)prop-2-enyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)prop-2-enyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)prop-2-enyl]oxane-3,4,5-triol is C=C(C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccc(OC)cc1.
What is the InChIKey of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)prop-2-enyl]oxane-3,4,5-triol?
The InChIKey is ZOFWFKGGABIZNL-XFIYOXNOSA-N. The full InChI is InChI=1S/C16H22O6/c1-9(10-3-5-11(21-2)6-4-10)7-12-14(18)16(20)15(19)13(8-17)22-12/h3-6,12-20H,1,7-8H2,2H3/t12-,13+,14-,15-,16+/m0/s1.
What are the key properties of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)prop-2-enyl]oxane-3,4,5-triol?
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)prop-2-enyl]oxane-3,4,5-triol has a molecular weight of 310.35 g/mol, XLogP of -0.06, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)prop-2-enyl]oxane-3,4,5-triol is sourced from PubChem (CID 44586864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).