N-[(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;N-[(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;ethyl (3aR,6S,7R,7aS)-7-acetamido-2,2-diethyl-6-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6R,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6S,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3R,4R,5R,6R)-4-acetamido-5-azido-6-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate;bis(ethyl (3R,4R,5S,6S)-4-acetamido-6-hydroxy-5-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate)

C138H227Br2N11O39 — CID 161350609

About N-[(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;N-[(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;ethyl (3aR,6S,7R,7aS)-7-acetamido-2,2-diethyl-6-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6R,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6S,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3R,4R,5R,6R)-4-acetamido-5-azido-6-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate;bis(ethyl (3R,4R,5S,6S)-4-acetamido-6-hydroxy-5-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate)

N-[(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;N-[(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;ethyl (3aR,6S,7R,7aS)-7-acetamido-2,2-diethyl-6-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6R,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6S,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3R,4R,5R,6R)-4-acetamido-5-azido-6-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate;bis(ethyl (3R,4R,5S,6S)-4-acetamido-6-hydroxy-5-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate) (PubChem CID 161350609) has the molecular formula C138H227Br2N11O39 and a molecular weight of 2824.18 g/mol. Its IUPAC name is N-[(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;N-[(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;ethyl (3aR,6S,7R,7aS)-7-acetamido-2,2-diethyl-6-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6R,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6S,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3R,4R,5R,6R)-4-acetamido-5-azido-6-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate;bis(ethyl (3R,4R,5S,6S)-4-acetamido-6-hydroxy-5-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate).

Molecular Properties

• Compound Name: N-[(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;N-[(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;ethyl (3aR,6S,7R,7aS)-7-acetamido-2,2-diethyl-6-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6R,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6S,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3R,4R,5R,6R)-4-acetamido-5-azido-6-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate;bis(ethyl (3R,4R,5S,6S)-4-acetamido-6-hydroxy-5-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate)
• PubChem CID: 161350609
• Molecular Formula: C138H227Br2N11O39
• Molecular Weight: 2824.18 g/mol
• Exact Mass: 2820.45
• IUPAC Name: N-[(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;N-[(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;ethyl (3aR,6S,7R,7aS)-7-acetamido-2,2-diethyl-6-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6R,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6S,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3R,4R,5R,6R)-4-acetamido-5-azido-6-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate;bis(ethyl (3R,4R,5S,6S)-4-acetamido-6-hydroxy-5-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate)
• SMILES: CCC(CC)O[C@@H]1C=C(Br)[C@H]2OC(C)(C)O[C@H]2[C@H]1NC(C)=O.CCC(CC)O[C@H]1C=C(Br)[C@H]2OC(C)(C)O[C@H]2[C@H]1NC(C)=O.CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H]2OC(C)(C)O[C@H]12.CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C)[C@@H]1O.CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C)[C@@H]1O.CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](N=[N+]=[N-])[C@@H]1C.CCOC(=O)C1=C[C@H](C)[C@@H](NC(C)=O)[C@@H]2OC(CC)(CC)O[C@H]12.CCOC(=O)C1=C[C@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H]2OC(C)(C)O[C@H]12
• InChI: InChI=1S/2C19H31NO6.C17H28N4O4.C17H27NO5.2C17H29NO5.2C16H26BrNO4/c2*1-7-12(8-2)24-14-10-13(18(22)23-9-3)16-17(15(14)20-11(4)21)26-19(5,6)25-16;1-6-12(7-2)25-14-9-13(17(23)24-8-3)10(4)15(20-21-18)16(14)19-11(5)22;1-6-17(7-2)22-14-12(16(20)21-8-3)9-10(4)13(15(14)23-17)18-11(5)19;2*1-6-12(7-2)23-14-9-13(17(21)22-8-3)16(20)10(4)15(14)18-11(5)19;2*1-6-10(7-2)20-12-8-11(17)14-15(13(12)18-9(3)19)22-16(4,5)21-14/h2*10,12,14-17H,7-9H2,1-6H3,(H,20,21);9-10,12,14-16H,6-8H2,1-5H3,(H,19,22);9-10,13-15H,6-8H2,1-5H3,(H,18,19);2*9-10,12,14-16,20H,6-8H2,1-5H3,(H,18,19);2*8,10,12-15H,6-7H2,1-5H3,(H,18,19)/t14-,15+,16-,17+;14-,15-,16+,17-;10-,14-,15-,16+;10-,13+,14+,15-;2*10-,14+,15+,16-;12-,13+,14-,15+;12-,13-,14+,15-/m10100010/s1
• InChIKey: VNWLVRSGHCUPRZ-KSWHLRBSSA-N
• XLogP: 17.87
• TPSA: 636.73 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 51
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2824.18
LogP ≤ 5	17.87
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;N-[(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;ethyl (3aR,6S,7R,7aS)-7-acetamido-2,2-diethyl-6-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6R,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6S,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3R,4R,5R,6R)-4-acetamido-5-azido-6-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate;bis(ethyl (3R,4R,5S,6S)-4-acetamido-6-hydroxy-5-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate)?

The IUPAC name of N-[(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;N-[(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;ethyl (3aR,6S,7R,7aS)-7-acetamido-2,2-diethyl-6-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6R,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6S,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3R,4R,5R,6R)-4-acetamido-5-azido-6-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate;bis(ethyl (3R,4R,5S,6S)-4-acetamido-6-hydroxy-5-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate) (CID 161350609) is N-[(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;N-[(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;ethyl (3aR,6S,7R,7aS)-7-acetamido-2,2-diethyl-6-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6R,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6S,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3R,4R,5R,6R)-4-acetamido-5-azido-6-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate;bis(ethyl (3R,4R,5S,6S)-4-acetamido-6-hydroxy-5-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate).

What is the SMILES notation for N-[(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;N-[(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;ethyl (3aR,6S,7R,7aS)-7-acetamido-2,2-diethyl-6-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6R,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6S,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3R,4R,5R,6R)-4-acetamido-5-azido-6-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate;bis(ethyl (3R,4R,5S,6S)-4-acetamido-6-hydroxy-5-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate)?

The canonical SMILES for N-[(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;N-[(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;ethyl (3aR,6S,7R,7aS)-7-acetamido-2,2-diethyl-6-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6R,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6S,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3R,4R,5R,6R)-4-acetamido-5-azido-6-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate;bis(ethyl (3R,4R,5S,6S)-4-acetamido-6-hydroxy-5-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate) is CCC(CC)O[C@@H]1C=C(Br)[C@H]2OC(C)(C)O[C@H]2[C@H]1NC(C)=O.CCC(CC)O[C@H]1C=C(Br)[C@H]2OC(C)(C)O[C@H]2[C@H]1NC(C)=O.CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H]2OC(C)(C)O[C@H]12.CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C)[C@@H]1O.CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C)[C@@H]1O.CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](N=[N+]=[N-])[C@@H]1C.CCOC(=O)C1=C[C@H](C)[C@@H](NC(C)=O)[C@@H]2OC(CC)(CC)O[C@H]12.CCOC(=O)C1=C[C@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H]2OC(C)(C)O[C@H]12.

What is the InChIKey of N-[(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;N-[(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;ethyl (3aR,6S,7R,7aS)-7-acetamido-2,2-diethyl-6-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6R,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6S,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3R,4R,5R,6R)-4-acetamido-5-azido-6-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate;bis(ethyl (3R,4R,5S,6S)-4-acetamido-6-hydroxy-5-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate)?

The InChIKey is VNWLVRSGHCUPRZ-KSWHLRBSSA-N. The full InChI is InChI=1S/2C19H31NO6.C17H28N4O4.C17H27NO5.2C17H29NO5.2C16H26BrNO4/c2*1-7-12(8-2)24-14-10-13(18(22)23-9-3)16-17(15(14)20-11(4)21)26-19(5,6)25-16;1-6-12(7-2)25-14-9-13(17(23)24-8-3)10(4)15(20-21-18)16(14)19-11(5)22;1-6-17(7-2)22-14-12(16(20)21-8-3)9-10(4)13(15(14)23-17)18-11(5)19;2*1-6-12(7-2)23-14-9-13(17(21)22-8-3)16(20)10(4)15(14)18-11(5)19;2*1-6-10(7-2)20-12-8-11(17)14-15(13(12)18-9(3)19)22-16(4,5)21-14/h2*10,12,14-17H,7-9H2,1-6H3,(H,20,21);9-10,12,14-16H,6-8H2,1-5H3,(H,19,22);9-10,13-15H,6-8H2,1-5H3,(H,18,19);2*9-10,12,14-16,20H,6-8H2,1-5H3,(H,18,19);2*8,10,12-15H,6-7H2,1-5H3,(H,18,19)/t14-,15+,16-,17+;14-,15-,16+,17-;10-,14-,15-,16+;10-,13+,14+,15-;2*10-,14+,15+,16-;12-,13+,14-,15+;12-,13-,14+,15-/m10100010/s1.

What are the key properties of N-[(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;N-[(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;ethyl (3aR,6S,7R,7aS)-7-acetamido-2,2-diethyl-6-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6R,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6S,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3R,4R,5R,6R)-4-acetamido-5-azido-6-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate;bis(ethyl (3R,4R,5S,6S)-4-acetamido-6-hydroxy-5-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate)?

N-[(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;N-[(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;ethyl (3aR,6S,7R,7aS)-7-acetamido-2,2-diethyl-6-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6R,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6S,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3R,4R,5R,6R)-4-acetamido-5-azido-6-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate;bis(ethyl (3R,4R,5S,6S)-4-acetamido-6-hydroxy-5-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate) has a molecular weight of 2824.18 g/mol, XLogP of 17.87, 51 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;N-[(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide;ethyl (3aR,6S,7R,7aS)-7-acetamido-2,2-diethyl-6-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6R,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3aR,6S,7S,7aS)-7-acetamido-2,2-dimethyl-6-pentan-3-yloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate;ethyl (3R,4R,5R,6R)-4-acetamido-5-azido-6-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate;bis(ethyl (3R,4R,5S,6S)-4-acetamido-6-hydroxy-5-methyl-3-pentan-3-yloxycyclohexene-1-carboxylate) is sourced from PubChem (CID 161350609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).