About (2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;(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-ol;[(3S,4R,5R,6R)-2-acetyloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(2R,3S,4R,5R,6R)-2-diphenoxyphosphoryloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol;(1R,2S,4S,5S,7R,10R)-5-methoxy-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
(2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;(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-ol;[(3S,4R,5R,6R)-2-acetyloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(2R,3S,4R,5R,6R)-2-diphenoxyphosphoryloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol;(1R,2S,4S,5S,7R,10R)-5-methoxy-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane (PubChem CID 158557668) has the molecular formula C135H175O48P
and a molecular weight of 2596.81 g/mol. Its IUPAC name is (2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;(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-ol;[(3S,4R,5R,6R)-2-acetyloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(2R,3S,4R,5R,6R)-2-diphenoxyphosphoryloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol;(1R,2S,4S,5S,7R,10R)-5-methoxy-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane.
Frequently Asked Questions
What is the IUPAC name of (2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;(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-ol;[(3S,4R,5R,6R)-2-acetyloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(2R,3S,4R,5R,6R)-2-diphenoxyphosphoryloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol;(1R,2S,4S,5S,7R,10R)-5-methoxy-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane?
The IUPAC name of (2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;(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-ol;[(3S,4R,5R,6R)-2-acetyloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(2R,3S,4R,5R,6R)-2-diphenoxyphosphoryloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol;(1R,2S,4S,5S,7R,10R)-5-methoxy-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane (CID 158557668) is (2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;(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-ol;[(3S,4R,5R,6R)-2-acetyloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(2R,3S,4R,5R,6R)-2-diphenoxyphosphoryloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol;(1R,2S,4S,5S,7R,10R)-5-methoxy-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane.
What is the SMILES notation for (2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;(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-ol;[(3S,4R,5R,6R)-2-acetyloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(2R,3S,4R,5R,6R)-2-diphenoxyphosphoryloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol;(1R,2S,4S,5S,7R,10R)-5-methoxy-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane?
The canonical SMILES for (2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;(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-ol;[(3S,4R,5R,6R)-2-acetyloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(2R,3S,4R,5R,6R)-2-diphenoxyphosphoryloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol;(1R,2S,4S,5S,7R,10R)-5-methoxy-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane is CC[C@H]1OC(O)[C@@H](OC(C)=O)[C@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1OC(OC(C)=O)[C@@H](OC(C)=O)[C@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@H](OP(=O)(Oc2ccccc2)Oc2ccccc2)[C@@H](OC(C)=O)[C@H](OCc2ccccc2)[C@@H]1C.CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](OCc2ccccc2)[C@@H]1O.CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]2O[C@H]12.CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1O.CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](OCc2ccccc2)[C@@H]1O.CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;(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-ol;[(3S,4R,5R,6R)-2-acetyloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(2R,3S,4R,5R,6R)-2-diphenoxyphosphoryloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol;(1R,2S,4S,5S,7R,10R)-5-methoxy-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane?
The InChIKey is HQMJXKBGGBUXDN-GNPAFHKRSA-N. The full InChI is InChI=1S/C29H33O8P.C21H24O6.C19H26O6.C17H24O5.C14H18O6.C14H20O6.C14H16O5.C7H14O6/c1-4-26-21(2)27(32-20-23-14-8-5-9-15-23)28(33-22(3)30)29(34-26)37-38(31,35-24-16-10-6-11-17-24)36-25-18-12-7-13-19-25;1-23-21-17(22)19(24-12-14-8-4-2-5-9-14)18-16(26-21)13-25-20(27-18)15-10-6-3-7-11-15;1-5-16-12(2)17(22-11-15-9-7-6-8-10-15)18(23-13(3)20)19(25-16)24-14(4)21;1-4-14-11(2)15(16(17(19)22-14)21-12(3)18)20-10-13-8-6-5-7-9-13;1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8;1-18-14-12(17)13(11(16)10(7-15)20-14)19-8-9-5-3-2-4-6-9;1-15-14-12-11(18-12)10-9(17-14)7-16-13(19-10)8-5-3-2-4-6-8;1-12-7-6(11)5(10)4(9)3(2-8)13-7/h5-19,21,26-29H,4,20H2,1-3H3;2-11,16-22H,12-13H2,1H3;6-10,12,16-19H,5,11H2,1-4H3;5-9,11,14-17,19H,4,10H2,1-3H3;2-6,9-16H,7H2,1H3;2-6,10-17H,7-8H2,1H3;2-6,9-14H,7H2,1H3;3-11H,2H2,1H3/t21-,26-,27-,28+,29-;16-,17+,18-,19+,20-,21+;12-,16-,17-,18+,19?;11-,14-,15-,16+,17?;9-,10-,11-,12-,13-,14+;10-,11-,12+,13-,14+;9-,10-,11+,12+,13-,14+;3-,4-,5+,6+,7+/m11111111/s1.
What are the key properties of (2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;(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-ol;[(3S,4R,5R,6R)-2-acetyloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(2R,3S,4R,5R,6R)-2-diphenoxyphosphoryloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol;(1R,2S,4S,5S,7R,10R)-5-methoxy-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane?
(2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;(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-ol;[(3S,4R,5R,6R)-2-acetyloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(2R,3S,4R,5R,6R)-2-diphenoxyphosphoryloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol;(1R,2S,4S,5S,7R,10R)-5-methoxy-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane has a molecular weight of 2596.81 g/mol, XLogP of 12.60, 38 rotatable bonds, 11 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;(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-ol;[(3S,4R,5R,6R)-2-acetyloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(2R,3S,4R,5R,6R)-2-diphenoxyphosphoryloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate;(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol;(1R,2S,4S,5S,7R,10R)-5-methoxy-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane is sourced from PubChem (CID 158557668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).