(2R,3S,4S,5R,6S)-5-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4-diol

C20H28O11 — CID 163172826

About (2R,3S,4S,5R,6S)-5-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4-diol

(2R,3S,4S,5R,6S)-5-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4-diol (PubChem CID 163172826) has the molecular formula C20H28O11 and a molecular weight of 444.43 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-5-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3S,4S,5R,6S)-5-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4-diol
• PubChem CID: 163172826
• Molecular Formula: C20H28O11
• Molecular Weight: 444.43 g/mol
• Exact Mass: 444.16
• IUPAC Name: (2R,3S,4S,5R,6S)-5-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4-diol
• SMILES: OC/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@](O)(CO)[C@H]2O)cc1
• InChI: InChI=1S/C20H28O11/c21-7-1-2-11-3-5-12(6-4-11)29-18-16(15(25)14(24)13(8-22)30-18)31-19-17(26)20(27,9-23)10-28-19/h1-6,13-19,21-27H,7-10H2/b2-1+/t13-,14-,15+,16-,17+,18-,19+,20+/m1/s1
• InChIKey: WBJJDMZJEKRXAK-KALGYABDSA-N
• XLogP: -2.66
• TPSA: 178.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	444.43
LogP ≤ 5	-2.66
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-5-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4-diol?

The IUPAC name of (2R,3S,4S,5R,6S)-5-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4-diol (CID 163172826) is (2R,3S,4S,5R,6S)-5-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4-diol.

What is the SMILES notation for (2R,3S,4S,5R,6S)-5-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4-diol?

The canonical SMILES for (2R,3S,4S,5R,6S)-5-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4-diol is OC/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@](O)(CO)[C@H]2O)cc1.

What is the InChIKey of (2R,3S,4S,5R,6S)-5-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4-diol?

The InChIKey is WBJJDMZJEKRXAK-KALGYABDSA-N. The full InChI is InChI=1S/C20H28O11/c21-7-1-2-11-3-5-12(6-4-11)29-18-16(15(25)14(24)13(8-22)30-18)31-19-17(26)20(27,9-23)10-28-19/h1-6,13-19,21-27H,7-10H2/b2-1+/t13-,14-,15+,16-,17+,18-,19+,20+/m1/s1.

What are the key properties of (2R,3S,4S,5R,6S)-5-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4-diol?

(2R,3S,4S,5R,6S)-5-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4-diol has a molecular weight of 444.43 g/mol, XLogP of -2.66, 8 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5R,6S)-5-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4-diol is sourced from PubChem (CID 163172826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).