(2S)-4-[(2S)-1-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl]oxy-2-hydroxy-4-oxobutanoic acid;(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-hydroxypropanoic acid;oxolane;dihydrochloride

C112H141Cl2N5O49 — CID 160827919

About (2S)-4-[(2S)-1-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl]oxy-2-hydroxy-4-oxobutanoic acid;(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-hydroxypropanoic acid;oxolane;dihydrochloride

(2S)-4-[(2S)-1-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl]oxy-2-hydroxy-4-oxobutanoic acid;(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-hydroxypropanoic acid;oxolane;dihydrochloride (PubChem CID 160827919) has the molecular formula C112H141Cl2N5O49 and a molecular weight of 2412.25 g/mol. Its IUPAC name is (2S)-4-[(2S)-1-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl]oxy-2-hydroxy-4-oxobutanoic acid;(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-hydroxypropanoic acid;oxolane;dihydrochloride.

Molecular Properties

• Compound Name: (2S)-4-[(2S)-1-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl]oxy-2-hydroxy-4-oxobutanoic acid;(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-hydroxypropanoic acid;oxolane;dihydrochloride
• PubChem CID: 160827919
• Molecular Formula: C112H141Cl2N5O49
• Molecular Weight: 2412.25 g/mol
• Exact Mass: 2409.81
• IUPAC Name: (2S)-4-[(2S)-1-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl]oxy-2-hydroxy-4-oxobutanoic acid;(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-hydroxypropanoic acid;oxolane;dihydrochloride
• SMILES: C1CCOC1.CC1(C)OC(=O)[C@H](CC(=O)ON2C(=O)CCC2=O)O1.C[C@H](O)C(=O)O.C[C@H](OC(=O)C[C@@H]1OC(C)(C)OC1=O)C(=O)O.C[C@H](OC(=O)C[C@@H]1OC(C)(C)OC1=O)C(=O)ON1C(=O)CCC1=O.C[C@H](OC(=O)C[C@H](O)C(=O)O)C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5.Cc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314.Cc1ccc2c3c1O[C@H]1C(OC(=O)[C@H](C)OC(=O)C[C@@H]4OC(C)(C)OC4=O)=CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314.Cl.Cl
• InChI: InChI=1S/C28H33NO9.C24H27NO10.C18H21NO3.C14H17NO9.C11H13NO7.C10H14O7.C4H8O.C3H6O3.2ClH/c1-14-6-7-16-12-19-28(33)9-8-17(23-27(28,10-11-29(19)5)21(16)22(14)36-23)35-24(31)15(2)34-20(30)13-18-25(32)38-26(3,4)37-18;1-11(33-17(28)10-14(27)21(29)30)22(31)34-15-5-6-24(32)16-9-12-3-4-13(26)19-18(12)23(24,20(15)35-19)7-8-25(16)2;1-10-3-4-11-9-13-18(21)6-5-12(20)16-17(18,7-8-19(13)2)14(11)15(10)22-16;1-7(12(19)24-15-9(16)4-5-10(15)17)21-11(18)6-8-13(20)23-14(2,3)22-8;1-11(2)17-6(10(16)18-11)5-9(15)19-12-7(13)3-4-8(12)14;1-5(8(12)13)15-7(11)4-6-9(14)17-10(2,3)16-6;1-2-4-5-3-1;1-2(4)3(5)6;;/h6-8,15,18-19,23,33H,9-13H2,1-5H3;3-5,11,14,16,20,26-27,32H,6-10H2,1-2H3,(H,29,30);3-4,13,16,21H,5-9H2,1-2H3;7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;5-6H,4H2,1-3H3,(H,12,13);1-4H2;2,4H,1H3,(H,5,6);2*1H/t15-,18-,19+,23-,27-,28+;11-,14-,16+,20-,23-,24+;13-,16+,17+,18-;7-,8-;6-;5-,6-;;2-;;/m001000.0../s1
• InChIKey: DWMKRQQUHOGXED-MOFWGISPSA-N
• XLogP: 3.56
• TPSA: 724.27 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 49
• Rotatable Bonds: 24
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2412.25
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2S)-1-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl]oxy-2-hydroxy-4-oxobutanoic acid;(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-hydroxypropanoic acid;oxolane;dihydrochloride?

The IUPAC name of (2S)-4-[(2S)-1-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl]oxy-2-hydroxy-4-oxobutanoic acid;(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-hydroxypropanoic acid;oxolane;dihydrochloride (CID 160827919) is (2S)-4-[(2S)-1-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl]oxy-2-hydroxy-4-oxobutanoic acid;(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-hydroxypropanoic acid;oxolane;dihydrochloride.

What is the SMILES notation for (2S)-4-[(2S)-1-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl]oxy-2-hydroxy-4-oxobutanoic acid;(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-hydroxypropanoic acid;oxolane;dihydrochloride?

The canonical SMILES for (2S)-4-[(2S)-1-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl]oxy-2-hydroxy-4-oxobutanoic acid;(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-hydroxypropanoic acid;oxolane;dihydrochloride is C1CCOC1.CC1(C)OC(=O)[C@H](CC(=O)ON2C(=O)CCC2=O)O1.C[C@H](O)C(=O)O.C[C@H](OC(=O)C[C@@H]1OC(C)(C)OC1=O)C(=O)O.C[C@H](OC(=O)C[C@@H]1OC(C)(C)OC1=O)C(=O)ON1C(=O)CCC1=O.C[C@H](OC(=O)C[C@H](O)C(=O)O)C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5.Cc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314.Cc1ccc2c3c1O[C@H]1C(OC(=O)[C@H](C)OC(=O)C[C@@H]4OC(C)(C)OC4=O)=CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314.Cl.Cl.

What is the InChIKey of (2S)-4-[(2S)-1-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl]oxy-2-hydroxy-4-oxobutanoic acid;(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-hydroxypropanoic acid;oxolane;dihydrochloride?

The InChIKey is DWMKRQQUHOGXED-MOFWGISPSA-N. The full InChI is InChI=1S/C28H33NO9.C24H27NO10.C18H21NO3.C14H17NO9.C11H13NO7.C10H14O7.C4H8O.C3H6O3.2ClH/c1-14-6-7-16-12-19-28(33)9-8-17(23-27(28,10-11-29(19)5)21(16)22(14)36-23)35-24(31)15(2)34-20(30)13-18-25(32)38-26(3,4)37-18;1-11(33-17(28)10-14(27)21(29)30)22(31)34-15-5-6-24(32)16-9-12-3-4-13(26)19-18(12)23(24,20(15)35-19)7-8-25(16)2;1-10-3-4-11-9-13-18(21)6-5-12(20)16-17(18,7-8-19(13)2)14(11)15(10)22-16;1-7(12(19)24-15-9(16)4-5-10(15)17)21-11(18)6-8-13(20)23-14(2,3)22-8;1-11(2)17-6(10(16)18-11)5-9(15)19-12-7(13)3-4-8(12)14;1-5(8(12)13)15-7(11)4-6-9(14)17-10(2,3)16-6;1-2-4-5-3-1;1-2(4)3(5)6;;/h6-8,15,18-19,23,33H,9-13H2,1-5H3;3-5,11,14,16,20,26-27,32H,6-10H2,1-2H3,(H,29,30);3-4,13,16,21H,5-9H2,1-2H3;7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;5-6H,4H2,1-3H3,(H,12,13);1-4H2;2,4H,1H3,(H,5,6);2*1H/t15-,18-,19+,23-,27-,28+;11-,14-,16+,20-,23-,24+;13-,16+,17+,18-;7-,8-;6-;5-,6-;;2-;;/m001000.0../s1.

What are the key properties of (2S)-4-[(2S)-1-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl]oxy-2-hydroxy-4-oxobutanoic acid;(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-hydroxypropanoic acid;oxolane;dihydrochloride?

(2S)-4-[(2S)-1-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl]oxy-2-hydroxy-4-oxobutanoic acid;(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-hydroxypropanoic acid;oxolane;dihydrochloride has a molecular weight of 2412.25 g/mol, XLogP of 3.56, 24 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-[(2S)-1-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl]oxy-2-hydroxy-4-oxobutanoic acid;(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(4R,4aS,7aR,12bS)-4a-hydroxy-3,9-dimethyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxypropanoate;(2S)-2-hydroxypropanoic acid;oxolane;dihydrochloride is sourced from PubChem (CID 160827919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).