[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[[3-(2-amino-2-oxoethoxy)phenyl]sulfonyl-cyclopentyloxyamino]-2-hydroxypentan-3-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-(3-hydroxyphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate;2-bromoacetamide

C50H75BrN6O20S2 — CID 91426692

About [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[[3-(2-amino-2-oxoethoxy)phenyl]sulfonyl-cyclopentyloxyamino]-2-hydroxypentan-3-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-(3-hydroxyphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate;2-bromoacetamide

[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[[3-(2-amino-2-oxoethoxy)phenyl]sulfonyl-cyclopentyloxyamino]-2-hydroxypentan-3-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-(3-hydroxyphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate;2-bromoacetamide (PubChem CID 91426692) has the molecular formula C50H75BrN6O20S2 and a molecular weight of 1224.21 g/mol. Its IUPAC name is [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[[3-(2-amino-2-oxoethoxy)phenyl]sulfonyl-cyclopentyloxyamino]-2-hydroxypentan-3-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-(3-hydroxyphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate;2-bromoacetamide.

Molecular Properties

• Compound Name: [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[[3-(2-amino-2-oxoethoxy)phenyl]sulfonyl-cyclopentyloxyamino]-2-hydroxypentan-3-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-(3-hydroxyphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate;2-bromoacetamide
• PubChem CID: 91426692
• Molecular Formula: C50H75BrN6O20S2
• Molecular Weight: 1224.21 g/mol
• Exact Mass: 1222.37
• IUPAC Name: [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[[3-(2-amino-2-oxoethoxy)phenyl]sulfonyl-cyclopentyloxyamino]-2-hydroxypentan-3-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-(3-hydroxyphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate;2-bromoacetamide
• SMILES: CC[C@H](NC(=O)OC1CO[C@H]2OCC[C@@H]12)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1cccc(O)c1.CC[C@H](NC(=O)OC1CO[C@H]2OCC[C@@H]12)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1cccc(OCC(N)=O)c1.NC(=O)CBr
• InChI: InChI=1S/C25H37N3O10S.C23H34N2O9S.C2H4BrNO/c1-2-20(27-25(31)37-22-14-36-24-19(22)10-11-34-24)21(29)13-28(38-16-6-3-4-7-16)39(32,33)18-9-5-8-17(12-18)35-15-23(26)30;1-2-19(24-23(28)33-21-14-32-22-18(21)10-11-31-22)20(27)13-25(34-16-7-3-4-8-16)35(29,30)17-9-5-6-15(26)12-17;3-1-2(4)5/h5,8-9,12,16,19-22,24,29H,2-4,6-7,10-11,13-15H2,1H3,(H2,26,30)(H,27,31);5-6,9,12,16,18-22,26-27H,2-4,7-8,10-11,13-14H2,1H3,(H,24,28);1H2,(H2,4,5)/t19-,20-,21+,22?,24+;18-,19-,20+,21?,22+;/m00./s1
• InChIKey: DXEUDRLLGUSRKI-YVIAZGKESA-N
• XLogP: 2.79
• TPSA: 362.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1224.21
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[[3-(2-amino-2-oxoethoxy)phenyl]sulfonyl-cyclopentyloxyamino]-2-hydroxypentan-3-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-(3-hydroxyphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate;2-bromoacetamide?

The IUPAC name of [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[[3-(2-amino-2-oxoethoxy)phenyl]sulfonyl-cyclopentyloxyamino]-2-hydroxypentan-3-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-(3-hydroxyphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate;2-bromoacetamide (CID 91426692) is [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[[3-(2-amino-2-oxoethoxy)phenyl]sulfonyl-cyclopentyloxyamino]-2-hydroxypentan-3-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-(3-hydroxyphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate;2-bromoacetamide.

What is the SMILES notation for [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[[3-(2-amino-2-oxoethoxy)phenyl]sulfonyl-cyclopentyloxyamino]-2-hydroxypentan-3-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-(3-hydroxyphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate;2-bromoacetamide?

The canonical SMILES for [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[[3-(2-amino-2-oxoethoxy)phenyl]sulfonyl-cyclopentyloxyamino]-2-hydroxypentan-3-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-(3-hydroxyphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate;2-bromoacetamide is CC[C@H](NC(=O)OC1CO[C@H]2OCC[C@@H]12)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1cccc(O)c1.CC[C@H](NC(=O)OC1CO[C@H]2OCC[C@@H]12)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1cccc(OCC(N)=O)c1.NC(=O)CBr.

What is the InChIKey of [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[[3-(2-amino-2-oxoethoxy)phenyl]sulfonyl-cyclopentyloxyamino]-2-hydroxypentan-3-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-(3-hydroxyphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate;2-bromoacetamide?

The InChIKey is DXEUDRLLGUSRKI-YVIAZGKESA-N. The full InChI is InChI=1S/C25H37N3O10S.C23H34N2O9S.C2H4BrNO/c1-2-20(27-25(31)37-22-14-36-24-19(22)10-11-34-24)21(29)13-28(38-16-6-3-4-7-16)39(32,33)18-9-5-8-17(12-18)35-15-23(26)30;1-2-19(24-23(28)33-21-14-32-22-18(21)10-11-31-22)20(27)13-25(34-16-7-3-4-8-16)35(29,30)17-9-5-6-15(26)12-17;3-1-2(4)5/h5,8-9,12,16,19-22,24,29H,2-4,6-7,10-11,13-15H2,1H3,(H2,26,30)(H,27,31);5-6,9,12,16,18-22,26-27H,2-4,7-8,10-11,13-14H2,1H3,(H,24,28);1H2,(H2,4,5)/t19-,20-,21+,22?,24+;18-,19-,20+,21?,22+;/m00./s1.

What are the key properties of [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[[3-(2-amino-2-oxoethoxy)phenyl]sulfonyl-cyclopentyloxyamino]-2-hydroxypentan-3-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-(3-hydroxyphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate;2-bromoacetamide?

[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[[3-(2-amino-2-oxoethoxy)phenyl]sulfonyl-cyclopentyloxyamino]-2-hydroxypentan-3-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-(3-hydroxyphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate;2-bromoacetamide has a molecular weight of 1224.21 g/mol, XLogP of 2.79, 24 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[[3-(2-amino-2-oxoethoxy)phenyl]sulfonyl-cyclopentyloxyamino]-2-hydroxypentan-3-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-(3-hydroxyphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate;2-bromoacetamide is sourced from PubChem (CID 91426692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).