(6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol

C80H82O21 — CID 91327347

IUPAC(6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
SMILESOC1[C@H](OC2[C@H](OC3[C@H](OC4[C@H](O)OC5COC(c6ccccc6)O[C@H]5[C@H]4OCc4ccccc4)OC4COC(c5ccccc5)O[C@H]4[C@H]3OCc3ccccc3)OC3COC(c4ccccc4)O[C@H]3[C@H]2OCc2ccccc2)OC2COC(c3ccccc3)O[C@H]2[C@H]1OCc1ccccc1
InChIInChI=1S/C80H82O21/c81-61-66(83-41-49-25-9-1-10-26-49)62-58(46-88-74(95-62)53-33-17-5-18-34-53)92-78(61)100-71-68(85-43-51-29-13-3-14-30-51)64-60(48-90-76(97-64)55-37-21-7-22-38-55)94-80(71)101-72-69(86-44-52-31-15-4-16-32-52)65-59(47-89-77(98-65)56-39-23-8-24-40-56)93-79(72)99-70-67(84-42-50-27-11-2-12-28-50)63-57(91-73(70)82)45-87-75(96-63)54-35-19-6-20-36-54/h1-40,57-82H,41-48H2/t57?,58?,59?,60?,61?,62-,63-,64-,65-,66+,67-,68-,69-,70?,71?,72?,73-,74?,75?,76?,77?,78+,79+,80+/m1/s1
InChIKeyQJMBYGWMUFFHPK-HMBGUQOYSA-N
MW1379.51 g/mol
LogP10.19
Rot. Bonds22

About (6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol

(6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol (PubChem CID 91327347) has the molecular formula C80H82O21 and a molecular weight of 1379.51 g/mol. Its IUPAC name is (6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol.

Molecular Properties

Compound Name(6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
PubChem CID91327347
Molecular FormulaC80H82O21
Molecular Weight1379.51 g/mol
Exact Mass1378.53
IUPAC Name(6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
SMILESOC1[C@H](OC2[C@H](OC3[C@H](OC4[C@H](O)OC5COC(c6ccccc6)O[C@H]5[C@H]4OCc4ccccc4)OC4COC(c5ccccc5)O[C@H]4[C@H]3OCc3ccccc3)OC3COC(c4ccccc4)O[C@H]3[C@H]2OCc2ccccc2)OC2COC(c3ccccc3)O[C@H]2[C@H]1OCc1ccccc1
InChIInChI=1S/C80H82O21/c81-61-66(83-41-49-25-9-1-10-26-49)62-58(46-88-74(95-62)53-33-17-5-18-34-53)92-78(61)100-71-68(85-43-51-29-13-3-14-30-51)64-60(48-90-76(97-64)55-37-21-7-22-38-55)94-80(71)101-72-69(86-44-52-31-15-4-16-32-52)65-59(47-89-77(98-65)56-39-23-8-24-40-56)93-79(72)99-70-67(84-42-50-27-11-2-12-28-50)63-57(91-73(70)82)45-87-75(96-63)54-35-19-6-20-36-54/h1-40,57-82H,41-48H2/t57?,58?,59?,60?,61?,62-,63-,64-,65-,66+,67-,68-,69-,70?,71?,72?,73-,74?,75?,76?,77?,78+,79+,80+/m1/s1
InChIKeyQJMBYGWMUFFHPK-HMBGUQOYSA-N
XLogP10.19
TPSA215.83 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001379.51
LogP ≤ 510.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze (6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8S,8aS)-7-[[(6S,8R,8aS)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
CID 58699845
(6R,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
CID 90886649
(2R,4aS,6S,7S,8R,8aR)-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 124552800
(4aR,6S,7R,8R,8aR)-8-[[(4aR,6S,7S,8R,8aR)-8-[[(4aR,6S,7S,8S,8aR)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 102349967
(2S,4aR,6R,7S,8S,8aS)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 71489871
(6S,8R,8aR)-8-[[(6S,8R,8aR)-7-hydroxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 70822987
(2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 10509570
(2S,4aR,6S,7R,8S,8aS)-2-phenyl-6,7,8-tris(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 97045413
(2R,4aS,6R,7R,8S,8aR)-2-phenyl-6,7,8-tris(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 71776412
(3R,4S,5R,6R)-5-[[(2S,4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 10581495
6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol
CID 123150883
6-[4,5-dihydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 14582634

Frequently Asked Questions

What is the IUPAC name of (6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol?
The IUPAC name of (6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol (CID 91327347) is (6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol.
What is the SMILES notation for (6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol?
The canonical SMILES for (6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol is OC1[C@H](OC2[C@H](OC3[C@H](OC4[C@H](O)OC5COC(c6ccccc6)O[C@H]5[C@H]4OCc4ccccc4)OC4COC(c5ccccc5)O[C@H]4[C@H]3OCc3ccccc3)OC3COC(c4ccccc4)O[C@H]3[C@H]2OCc2ccccc2)OC2COC(c3ccccc3)O[C@H]2[C@H]1OCc1ccccc1.
What is the InChIKey of (6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol?
The InChIKey is QJMBYGWMUFFHPK-HMBGUQOYSA-N. The full InChI is InChI=1S/C80H82O21/c81-61-66(83-41-49-25-9-1-10-26-49)62-58(46-88-74(95-62)53-33-17-5-18-34-53)92-78(61)100-71-68(85-43-51-29-13-3-14-30-51)64-60(48-90-76(97-64)55-37-21-7-22-38-55)94-80(71)101-72-69(86-44-52-31-15-4-16-32-52)65-59(47-89-77(98-65)56-39-23-8-24-40-56)93-79(72)99-70-67(84-42-50-27-11-2-12-28-50)63-57(91-73(70)82)45-87-75(96-63)54-35-19-6-20-36-54/h1-40,57-82H,41-48H2/t57?,58?,59?,60?,61?,62-,63-,64-,65-,66+,67-,68-,69-,70?,71?,72?,73-,74?,75?,76?,77?,78+,79+,80+/m1/s1.
What are the key properties of (6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol?
(6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol has a molecular weight of 1379.51 g/mol, XLogP of 10.19, 22 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol is sourced from PubChem (CID 91327347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).