(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5,8,8-pentadeuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-8a,9-dihydro-5aH-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,6,6-tetradeuterio-9-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5,5a,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5-trideuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5a,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one

C96H96O39S3 — CID 158281911

About (5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5,8,8-pentadeuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-8a,9-dihydro-5aH-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,6,6-tetradeuterio-9-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5,5a,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5-trideuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5a,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one

(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5,8,8-pentadeuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-8a,9-dihydro-5aH-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,6,6-tetradeuterio-9-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5,5a,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5-trideuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5a,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one (PubChem CID 158281911) has the molecular formula C96H96O39S3 and a molecular weight of 2006.21 g/mol. Its IUPAC name is (5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5,8,8-pentadeuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-8a,9-dihydro-5aH-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,6,6-tetradeuterio-9-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5,5a,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5-trideuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5a,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one.

Molecular Properties

• Compound Name: (5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5,8,8-pentadeuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-8a,9-dihydro-5aH-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,6,6-tetradeuterio-9-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5,5a,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5-trideuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5a,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one
• PubChem CID: 158281911
• Molecular Formula: C96H96O39S3
• Molecular Weight: 2006.21 g/mol
• Exact Mass: 2004.70
• IUPAC Name: (5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5,8,8-pentadeuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-8a,9-dihydro-5aH-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,6,6-tetradeuterio-9-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5,5a,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5-trideuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5a,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one
• SMILES: [2H]C([2H])([2H])Oc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5[C@@H](O[C@H](c6cccs6)OC5([2H])[2H])[C@H](O)[C@H]3O)[C@@H]3[C@@H]2C(=O)OC3([2H])[2H])OC([2H])([2H])O4)cc(OC([2H])([2H])[2H])c1O.[2H]C([2H])([2H])Oc1cc([C@]2([2H])c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5[C@@H](O[C@H](c6cccs6)OC5([2H])[2H])[C@H](O)[C@H]3O)[C@@H]3[C@@H]2C(=O)OC3([2H])[2H])OC([2H])([2H])O4)cc(OC([2H])([2H])[2H])c1O.[2H]C([2H])([2H])Oc1cc([C@]2([2H])c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5[C@@H](O[C@H](c6cccs6)OC5([2H])[2H])[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)OC([2H])([2H])O4)cc(OC([2H])([2H])[2H])c1O
• InChI: InChI=1S/3C32H32O13S/c3*1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3*3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t3*16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m000/s1/i1D3,2D3,10D2,11D2,12D2,23D;1D3,2D3,11D2,12D2,23D;1D3,2D3,10D2,11D2,12D2
• InChIKey: GKHWQYLTPHNHED-QYPGEFJXSA-N
• XLogP: 8.26
• TPSA: 482.49 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 42
• Rotatable Bonds: 24
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2006.21
LogP ≤ 5	8.26
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of (5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5,8,8-pentadeuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-8a,9-dihydro-5aH-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,6,6-tetradeuterio-9-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5,5a,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5-trideuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5a,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one?

The IUPAC name of (5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5,8,8-pentadeuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-8a,9-dihydro-5aH-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,6,6-tetradeuterio-9-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5,5a,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5-trideuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5a,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one (CID 158281911) is (5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5,8,8-pentadeuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-8a,9-dihydro-5aH-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,6,6-tetradeuterio-9-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5,5a,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5-trideuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5a,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one.

What is the SMILES notation for (5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5,8,8-pentadeuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-8a,9-dihydro-5aH-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,6,6-tetradeuterio-9-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5,5a,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5-trideuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5a,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one?

The canonical SMILES for (5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5,8,8-pentadeuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-8a,9-dihydro-5aH-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,6,6-tetradeuterio-9-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5,5a,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5-trideuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5a,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one is [2H]C([2H])([2H])Oc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5[C@@H](O[C@H](c6cccs6)OC5([2H])[2H])[C@H](O)[C@H]3O)[C@@H]3[C@@H]2C(=O)OC3([2H])[2H])OC([2H])([2H])O4)cc(OC([2H])([2H])[2H])c1O.[2H]C([2H])([2H])Oc1cc([C@]2([2H])c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5[C@@H](O[C@H](c6cccs6)OC5([2H])[2H])[C@H](O)[C@H]3O)[C@@H]3[C@@H]2C(=O)OC3([2H])[2H])OC([2H])([2H])O4)cc(OC([2H])([2H])[2H])c1O.[2H]C([2H])([2H])Oc1cc([C@]2([2H])c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5[C@@H](O[C@H](c6cccs6)OC5([2H])[2H])[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)OC([2H])([2H])O4)cc(OC([2H])([2H])[2H])c1O.

What is the InChIKey of (5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5,8,8-pentadeuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-8a,9-dihydro-5aH-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,6,6-tetradeuterio-9-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5,5a,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5-trideuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5a,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one?

The InChIKey is GKHWQYLTPHNHED-QYPGEFJXSA-N. The full InChI is InChI=1S/3C32H32O13S/c3*1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3*3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t3*16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m000/s1/i1D3,2D3,10D2,11D2,12D2,23D;1D3,2D3,11D2,12D2,23D;1D3,2D3,10D2,11D2,12D2.

What are the key properties of (5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5,8,8-pentadeuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-8a,9-dihydro-5aH-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,6,6-tetradeuterio-9-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5,5a,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5-trideuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5a,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one?

(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5,8,8-pentadeuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-8a,9-dihydro-5aH-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,6,6-tetradeuterio-9-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5,5a,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5-trideuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5a,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one has a molecular weight of 2006.21 g/mol, XLogP of 8.26, 24 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5,8,8-pentadeuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-8a,9-dihydro-5aH-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,6,6-tetradeuterio-9-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5,5a,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-4,4-dideuterio-7,8-dihydroxy-2-thiophen-2-yl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,2,5-trideuterio-5-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]-5a,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one is sourced from PubChem (CID 158281911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).