[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-deuterio-6-oxo-5a,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6,6-dideuterio-8-oxo-5,5a,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5,8,8-trideuterio-6-oxo-8a,9-dihydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate

C87H99O48P3 — CID 158792034

About [4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-deuterio-6-oxo-5a,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6,6-dideuterio-8-oxo-5,5a,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5,8,8-trideuterio-6-oxo-8a,9-dihydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate

[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-deuterio-6-oxo-5a,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6,6-dideuterio-8-oxo-5,5a,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5,8,8-trideuterio-6-oxo-8a,9-dihydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate (PubChem CID 158792034) has the molecular formula C87H99O48P3 and a molecular weight of 2023.73 g/mol. Its IUPAC name is [4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-deuterio-6-oxo-5a,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6,6-dideuterio-8-oxo-5,5a,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5,8,8-trideuterio-6-oxo-8a,9-dihydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate.

Molecular Properties

• Compound Name: [4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-deuterio-6-oxo-5a,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6,6-dideuterio-8-oxo-5,5a,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5,8,8-trideuterio-6-oxo-8a,9-dihydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate
• PubChem CID: 158792034
• Molecular Formula: C87H99O48P3
• Molecular Weight: 2023.73 g/mol
• Exact Mass: 2022.56
• IUPAC Name: [4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-deuterio-6-oxo-5a,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6,6-dideuterio-8-oxo-5,5a,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5,8,8-trideuterio-6-oxo-8a,9-dihydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate
• SMILES: [2H]C([2H])([2H])Oc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@@H]3[C@@H]2C(=O)OC3([2H])[2H])OCO4)cc(OC([2H])([2H])[2H])c1OP(=O)(O)O.[2H]C([2H])([2H])Oc1cc([C@]2([2H])c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC([2H])([2H])[2H])c1OP(=O)(O)O.[2H]C1([2H])OC(=O)[C@H]2[C@H]1[C@H](O[C@@H]1O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]1O)c1cc3c(cc1[C@@]2([2H])c1cc(OC)c(OP(=O)(O)O)c(OC)c1)OCO3
• InChI: InChI=1S/3C29H33O16P/c3*1-11-38-9-20-27(42-11)23(30)24(31)29(43-20)44-25-14-7-17-16(40-10-41-17)6-13(14)21(22-15(25)8-39-28(22)32)12-4-18(36-2)26(19(5-12)37-3)45-46(33,34)35/h3*4-7,11,15,20-25,27,29-31H,8-10H2,1-3H3,(H2,33,34,35)/t3*11-,15+,20-,21-,22+,23-,24-,25-,27-,29+/m111/s1/i2D3,3D3,21D;2D3,3D3,8D2;8D2,21D
• InChIKey: ISKBARBRTUOHSV-HLMCHKPHSA-N
• XLogP: 3.31
• TPSA: 622.08 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 25
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2023.73
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-deuterio-6-oxo-5a,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6,6-dideuterio-8-oxo-5,5a,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5,8,8-trideuterio-6-oxo-8a,9-dihydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate?

The IUPAC name of [4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-deuterio-6-oxo-5a,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6,6-dideuterio-8-oxo-5,5a,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5,8,8-trideuterio-6-oxo-8a,9-dihydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate (CID 158792034) is [4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-deuterio-6-oxo-5a,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6,6-dideuterio-8-oxo-5,5a,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5,8,8-trideuterio-6-oxo-8a,9-dihydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate.

What is the SMILES notation for [4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-deuterio-6-oxo-5a,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6,6-dideuterio-8-oxo-5,5a,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5,8,8-trideuterio-6-oxo-8a,9-dihydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate?

The canonical SMILES for [4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-deuterio-6-oxo-5a,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6,6-dideuterio-8-oxo-5,5a,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5,8,8-trideuterio-6-oxo-8a,9-dihydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate is [2H]C([2H])([2H])Oc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@@H]3[C@@H]2C(=O)OC3([2H])[2H])OCO4)cc(OC([2H])([2H])[2H])c1OP(=O)(O)O.[2H]C([2H])([2H])Oc1cc([C@]2([2H])c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC([2H])([2H])[2H])c1OP(=O)(O)O.[2H]C1([2H])OC(=O)[C@H]2[C@H]1[C@H](O[C@@H]1O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]1O)c1cc3c(cc1[C@@]2([2H])c1cc(OC)c(OP(=O)(O)O)c(OC)c1)OCO3.

What is the InChIKey of [4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-deuterio-6-oxo-5a,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6,6-dideuterio-8-oxo-5,5a,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5,8,8-trideuterio-6-oxo-8a,9-dihydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate?

The InChIKey is ISKBARBRTUOHSV-HLMCHKPHSA-N. The full InChI is InChI=1S/3C29H33O16P/c3*1-11-38-9-20-27(42-11)23(30)24(31)29(43-20)44-25-14-7-17-16(40-10-41-17)6-13(14)21(22-15(25)8-39-28(22)32)12-4-18(36-2)26(19(5-12)37-3)45-46(33,34)35/h3*4-7,11,15,20-25,27,29-31H,8-10H2,1-3H3,(H2,33,34,35)/t3*11-,15+,20-,21-,22+,23-,24-,25-,27-,29+/m111/s1/i2D3,3D3,21D;2D3,3D3,8D2;8D2,21D.

What are the key properties of [4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-deuterio-6-oxo-5a,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6,6-dideuterio-8-oxo-5,5a,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5,8,8-trideuterio-6-oxo-8a,9-dihydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate?

[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-deuterio-6-oxo-5a,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6,6-dideuterio-8-oxo-5,5a,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5,8,8-trideuterio-6-oxo-8a,9-dihydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate has a molecular weight of 2023.73 g/mol, XLogP of 3.31, 25 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-deuterio-6-oxo-5a,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6,6-dideuterio-8-oxo-5,5a,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-bis(trideuteriomethoxy)phenyl] dihydrogen phosphate;[4-[(5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5,8,8-trideuterio-6-oxo-8a,9-dihydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate is sourced from PubChem (CID 158792034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).