2-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]propan-2-yl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

C35H35N7O10 — CID 143907479

About 2-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]propan-2-yl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

2-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]propan-2-yl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate (PubChem CID 143907479) has the molecular formula C35H35N7O10 and a molecular weight of 713.70 g/mol. Its IUPAC name is 2-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]propan-2-yl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate.

Molecular Properties

• Compound Name: 2-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]propan-2-yl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
• PubChem CID: 143907479
• Molecular Formula: C35H35N7O10
• Molecular Weight: 713.70 g/mol
• Exact Mass: 713.24
• IUPAC Name: 2-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]propan-2-yl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
• SMILES: CCOc1nc2cccc(C(=O)OC(C)(C)OC(=O)O[C@@H]3CO[C@@H]4[C@H]3OC[C@H]4OC(N)=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C35H35N7O10/c1-4-46-33-37-24-11-7-10-23(31(43)51-35(2,3)52-34(45)50-26-18-48-28-25(49-32(36)44)17-47-29(26)28)27(24)42(33)16-19-12-14-20(15-13-19)21-8-5-6-9-22(21)30-38-40-41-39-30/h5-15,25-26,28-29H,4,16-18H2,1-3H3,(H2,36,44)(H,38,39,40,41)/t25-,26-,28+,29+/m1/s1
• InChIKey: GALSUHSICBALMB-KFADFNFCSA-N
• XLogP: 4.01
• TPSA: 214.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.70
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]propan-2-yl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate?

The IUPAC name of 2-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]propan-2-yl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate (CID 143907479) is 2-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]propan-2-yl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate.

What is the SMILES notation for 2-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]propan-2-yl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate?

The canonical SMILES for 2-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]propan-2-yl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate is CCOc1nc2cccc(C(=O)OC(C)(C)OC(=O)O[C@@H]3CO[C@@H]4[C@H]3OC[C@H]4OC(N)=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 2-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]propan-2-yl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate?

The InChIKey is GALSUHSICBALMB-KFADFNFCSA-N. The full InChI is InChI=1S/C35H35N7O10/c1-4-46-33-37-24-11-7-10-23(31(43)51-35(2,3)52-34(45)50-26-18-48-28-25(49-32(36)44)17-47-29(26)28)27(24)42(33)16-19-12-14-20(15-13-19)21-8-5-6-9-22(21)30-38-40-41-39-30/h5-15,25-26,28-29H,4,16-18H2,1-3H3,(H2,36,44)(H,38,39,40,41)/t25-,26-,28+,29+/m1/s1.

What are the key properties of 2-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]propan-2-yl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate?

2-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]propan-2-yl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate has a molecular weight of 713.70 g/mol, XLogP of 4.01, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]propan-2-yl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate is sourced from PubChem (CID 143907479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).