(3R,4S,5S,6R)-2-[3-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-[3-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-phenylethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol

C100H99F5O24 — CID 160667590

About (3R,4S,5S,6R)-2-[3-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-[3-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-phenylethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol

(3R,4S,5S,6R)-2-[3-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-[3-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-phenylethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol (PubChem CID 160667590) has the molecular formula C100H99F5O24 and a molecular weight of 1779.86 g/mol. Its IUPAC name is (3R,4S,5S,6R)-2-[3-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-[3-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-phenylethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol.

Molecular Properties

• Compound Name: (3R,4S,5S,6R)-2-[3-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-[3-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-phenylethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol
• PubChem CID: 160667590
• Molecular Formula: C100H99F5O24
• Molecular Weight: 1779.86 g/mol
• Exact Mass: 1778.64
• IUPAC Name: (3R,4S,5S,6R)-2-[3-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-[3-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-phenylethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol
• SMILES: CC(F)(F)c1cccc(/C=C/c2cc3ccccc3cc2OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1.CC(F)(F)c1ccccc1/C=C/c1cc2ccccc2cc1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OC[C@H]1OC(Oc2c(/C=C/c3ccccc3)ccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1OC(Oc2cc3ccccc3cc2/C=C/c2ccccc2F)[C@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/2C26H26F2O6.C24H23FO6.C24H24O6/c1-26(27,28)19-9-5-4-6-15(19)10-11-18-12-16-7-2-3-8-17(16)13-20(18)33-25-24(32)23(31)22(30)21(14-29)34-25;1-26(27,28)19-8-4-5-15(11-19)9-10-18-12-16-6-2-3-7-17(16)13-20(18)33-25-24(32)23(31)22(30)21(14-29)34-25;25-18-8-4-3-5-14(18)9-10-17-11-15-6-1-2-7-16(15)12-19(17)30-24-23(29)22(28)21(27)20(13-26)31-24;25-14-19-20(26)21(27)22(28)24(29-19)30-23-17(11-10-15-6-2-1-3-7-15)13-12-16-8-4-5-9-18(16)23/h2*2-13,21-25,29-32H,14H2,1H3;1-12,20-24,26-29H,13H2;1-13,19-22,24-28H,14H2/b11-10+;2*10-9+;11-10+/t2*21-,22-,23+,24-,25?;20-,21-,22+,23-,24?;19-,20-,21+,22-,24?/m1111/s1
• InChIKey: RMMYNBVHTJFROZ-UVVIKAOBSA-N
• XLogP: 11.12
• TPSA: 397.52 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1779.86
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-2-[3-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-[3-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-phenylethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol?

The IUPAC name of (3R,4S,5S,6R)-2-[3-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-[3-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-phenylethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol (CID 160667590) is (3R,4S,5S,6R)-2-[3-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-[3-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-phenylethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol.

What is the SMILES notation for (3R,4S,5S,6R)-2-[3-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-[3-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-phenylethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol?

The canonical SMILES for (3R,4S,5S,6R)-2-[3-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-[3-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-phenylethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol is CC(F)(F)c1cccc(/C=C/c2cc3ccccc3cc2OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1.CC(F)(F)c1ccccc1/C=C/c1cc2ccccc2cc1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OC[C@H]1OC(Oc2c(/C=C/c3ccccc3)ccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1OC(Oc2cc3ccccc3cc2/C=C/c2ccccc2F)[C@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (3R,4S,5S,6R)-2-[3-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-[3-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-phenylethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol?

The InChIKey is RMMYNBVHTJFROZ-UVVIKAOBSA-N. The full InChI is InChI=1S/2C26H26F2O6.C24H23FO6.C24H24O6/c1-26(27,28)19-9-5-4-6-15(19)10-11-18-12-16-7-2-3-8-17(16)13-20(18)33-25-24(32)23(31)22(30)21(14-29)34-25;1-26(27,28)19-8-4-5-15(11-19)9-10-18-12-16-6-2-3-7-17(16)13-20(18)33-25-24(32)23(31)22(30)21(14-29)34-25;25-18-8-4-3-5-14(18)9-10-17-11-15-6-1-2-7-16(15)12-19(17)30-24-23(29)22(28)21(27)20(13-26)31-24;25-14-19-20(26)21(27)22(28)24(29-19)30-23-17(11-10-15-6-2-1-3-7-15)13-12-16-8-4-5-9-18(16)23/h2*2-13,21-25,29-32H,14H2,1H3;1-12,20-24,26-29H,13H2;1-13,19-22,24-28H,14H2/b11-10+;2*10-9+;11-10+/t2*21-,22-,23+,24-,25?;20-,21-,22+,23-,24?;19-,20-,21+,22-,24?/m1111/s1.

What are the key properties of (3R,4S,5S,6R)-2-[3-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-[3-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-phenylethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol?

(3R,4S,5S,6R)-2-[3-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-[3-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-phenylethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol has a molecular weight of 1779.86 g/mol, XLogP of 11.12, 22 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5S,6R)-2-[3-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-[3-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-phenylethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 160667590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).