1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

C140H136N24O44 — CID 160649019

IUPAC1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
SMILESCCOc1nc2cccc(C(=O)OC(C)OC(=O)O[C@@H]3CO[C@@H]4[C@H]3OC[C@H]4OC(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCOc1nc2cccc(C(=O)OC(C)OC(=O)O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCOc1nc2cccc(C(=O)OC(C)OC(=O)O[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4OC(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCOc1nc2cccc(C(=O)OC(C)OC(=O)O[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/4C35H34N6O11/c4*1-4-46-33-36-25-11-7-10-24(32(42)49-19(2)50-35(44)52-27-18-48-29-26(17-47-30(27)29)51-34(43)45-3)28(25)41(33)16-20-12-14-21(15-13-20)22-8-5-6-9-23(22)31-37-39-40-38-31/h4*5-15,19,26-27,29-30H,4,16-18H2,1-3H3,(H,37,38,39,40)/t19?,26-,27+,29-,30-;2*19?,26-,27-,29+,30+;19?,26-,27-,29-,30-/m1101/s1
InChIKeyRKEDHRIDTCJVOH-PUXHFEFDSA-N
MW2858.75 g/mol
LogP17.22
Rot. Bonds44

About 1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate (PubChem CID 160649019) has the molecular formula C140H136N24O44 and a molecular weight of 2858.75 g/mol. Its IUPAC name is 1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate.

Molecular Properties

Compound Name1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
PubChem CID160649019
Molecular FormulaC140H136N24O44
Molecular Weight2858.75 g/mol
Exact Mass2856.91
IUPAC Name1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
SMILESCCOc1nc2cccc(C(=O)OC(C)OC(=O)O[C@@H]3CO[C@@H]4[C@H]3OC[C@H]4OC(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCOc1nc2cccc(C(=O)OC(C)OC(=O)O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCOc1nc2cccc(C(=O)OC(C)OC(=O)O[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4OC(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCOc1nc2cccc(C(=O)OC(C)OC(=O)O[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/4C35H34N6O11/c4*1-4-46-33-36-25-11-7-10-24(32(42)49-19(2)50-35(44)52-27-18-48-29-26(17-47-30(27)29)51-34(43)45-3)28(25)41(33)16-20-12-14-21(15-13-20)22-8-5-6-9-23(22)31-37-39-40-38-31/h4*5-15,19,26-27,29-30H,4,16-18H2,1-3H3,(H,37,38,39,40)/t19?,26-,27+,29-,30-;2*19?,26-,27-,29+,30+;19?,26-,27-,29-,30-/m1101/s1
InChIKeyRKEDHRIDTCJVOH-PUXHFEFDSA-N
XLogP17.22
TPSA789.32 Ų
H-Bond Donors4
H-Bond Acceptors64
Rotatable Bonds44
Heavy Atoms208
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002858.75
LogP ≤ 517.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate?
The IUPAC name of 1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate (CID 160649019) is 1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate.
What is the SMILES notation for 1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate?
The canonical SMILES for 1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate is CCOc1nc2cccc(C(=O)OC(C)OC(=O)O[C@@H]3CO[C@@H]4[C@H]3OC[C@H]4OC(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCOc1nc2cccc(C(=O)OC(C)OC(=O)O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCOc1nc2cccc(C(=O)OC(C)OC(=O)O[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4OC(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCOc1nc2cccc(C(=O)OC(C)OC(=O)O[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate?
The InChIKey is RKEDHRIDTCJVOH-PUXHFEFDSA-N. The full InChI is InChI=1S/4C35H34N6O11/c4*1-4-46-33-36-25-11-7-10-24(32(42)49-19(2)50-35(44)52-27-18-48-29-26(17-47-30(27)29)51-34(43)45-3)28(25)41(33)16-20-12-14-21(15-13-20)22-8-5-6-9-23(22)31-37-39-40-38-31/h4*5-15,19,26-27,29-30H,4,16-18H2,1-3H3,(H,37,38,39,40)/t19?,26-,27+,29-,30-;2*19?,26-,27-,29+,30+;19?,26-,27-,29-,30-/m1101/s1.
What are the key properties of 1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate?
1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate has a molecular weight of 2858.75 g/mol, XLogP of 17.22, 44 rotatable bonds, 4 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R,3aS,6R,6aS)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6R,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3R,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1-[[(3S,3aR,6S,6aR)-3-methoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate is sourced from PubChem (CID 160649019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).