1-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

C34H39N7O10 — CID 143907553

About 1-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

1-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate (PubChem CID 143907553) has the molecular formula C34H39N7O10 and a molecular weight of 705.73 g/mol. Its IUPAC name is 1-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate.

Molecular Properties

• Compound Name: 1-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
• PubChem CID: 143907553
• Molecular Formula: C34H39N7O10
• Molecular Weight: 705.73 g/mol
• Exact Mass: 705.28
• IUPAC Name: 1-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
• SMILES: CCCc1nc(C(C)(C)O)c(C(=O)OC(C)OC(=O)O[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3OC(N)=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C34H39N7O10/c1-5-8-25-36-29(34(3,4)45)26(31(42)48-18(2)49-33(44)51-24-17-47-27-23(50-32(35)43)16-46-28(24)27)41(25)15-19-11-13-20(14-12-19)21-9-6-7-10-22(21)30-37-39-40-38-30/h6-7,9-14,18,23-24,27-28,45H,5,8,15-17H2,1-4H3,(H2,35,43)(H,37,38,39,40)/t18?,23-,24-,27+,28+/m1/s1
• InChIKey: WCHSCKGQCFYZMU-FRPZOUSISA-N
• XLogP: 3.24
• TPSA: 225.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.73
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	3
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 1-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate?

The IUPAC name of 1-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate (CID 143907553) is 1-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate.

What is the SMILES notation for 1-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate?

The canonical SMILES for 1-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate is CCCc1nc(C(C)(C)O)c(C(=O)OC(C)OC(=O)O[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3OC(N)=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 1-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate?

The InChIKey is WCHSCKGQCFYZMU-FRPZOUSISA-N. The full InChI is InChI=1S/C34H39N7O10/c1-5-8-25-36-29(34(3,4)45)26(31(42)48-18(2)49-33(44)51-24-17-47-27-23(50-32(35)43)16-46-28(24)27)41(25)15-19-11-13-20(14-12-19)21-9-6-7-10-22(21)30-37-39-40-38-30/h6-7,9-14,18,23-24,27-28,45H,5,8,15-17H2,1-4H3,(H2,35,43)(H,37,38,39,40)/t18?,23-,24-,27+,28+/m1/s1.

What are the key properties of 1-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate?

1-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate has a molecular weight of 705.73 g/mol, XLogP of 3.24, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(3R,3aS,6R,6aS)-3-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyloxy]ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate is sourced from PubChem (CID 143907553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).