[(6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[3-(oxan-2-yloxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate

C32H44N2O9S — CID 59317320

About [(6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[3-(oxan-2-yloxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate

[(6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[3-(oxan-2-yloxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate (PubChem CID 59317320) has the molecular formula C32H44N2O9S and a molecular weight of 632.78 g/mol. Its IUPAC name is [(6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[3-(oxan-2-yloxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate.

Molecular Properties

• Compound Name: [(6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[3-(oxan-2-yloxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate
• PubChem CID: 59317320
• Molecular Formula: C32H44N2O9S
• Molecular Weight: 632.78 g/mol
• Exact Mass: 632.28
• IUPAC Name: [(6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[3-(oxan-2-yloxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate
• SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CO[C@H]2OCCC12)S(=O)(=O)c1cccc(OC2CCCCO2)c1
• InChI: InChI=1S/C32H44N2O9S/c1-22(2)19-34(44(37,38)25-12-8-11-24(18-25)42-30-13-6-7-15-39-30)20-28(35)27(17-23-9-4-3-5-10-23)33-32(36)43-29-21-41-31-26(29)14-16-40-31/h3-5,8-12,18,22,26-31,35H,6-7,13-17,19-21H2,1-2H3,(H,33,36)/t26?,27-,28+,29?,30?,31+/m0/s1
• InChIKey: SJUWDMIZIYQRGK-RKQTUDECSA-N
• XLogP: 3.70
• TPSA: 132.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	632.78
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[3-(oxan-2-yloxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate?

The IUPAC name of [(6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[3-(oxan-2-yloxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate (CID 59317320) is [(6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[3-(oxan-2-yloxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate.

What is the SMILES notation for [(6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[3-(oxan-2-yloxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate?

The canonical SMILES for [(6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[3-(oxan-2-yloxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate is CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CO[C@H]2OCCC12)S(=O)(=O)c1cccc(OC2CCCCO2)c1.

What is the InChIKey of [(6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[3-(oxan-2-yloxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate?

The InChIKey is SJUWDMIZIYQRGK-RKQTUDECSA-N. The full InChI is InChI=1S/C32H44N2O9S/c1-22(2)19-34(44(37,38)25-12-8-11-24(18-25)42-30-13-6-7-15-39-30)20-28(35)27(17-23-9-4-3-5-10-23)33-32(36)43-29-21-41-31-26(29)14-16-40-31/h3-5,8-12,18,22,26-31,35H,6-7,13-17,19-21H2,1-2H3,(H,33,36)/t26?,27-,28+,29?,30?,31+/m0/s1.

What are the key properties of [(6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[3-(oxan-2-yloxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate?

[(6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[3-(oxan-2-yloxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate has a molecular weight of 632.78 g/mol, XLogP of 3.70, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[3-(oxan-2-yloxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 59317320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).