(2R,5S)-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,6S,7S)-2-[(2R,4S,5R)-2-[[(3aS,7R,8aS)-8-hydroxy-5-(hydroxymethyl)-2-methyl-3a,5,6,7,8,8a-hexahydrooxepino[3,2-d][1,3]oxazol-7-yl]oxy]-6-[[(2S,4S,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,5S)-5-acetamido-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]oxy-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-acetamido-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepane-2-carboxamide

C96H163N13O60 — CID 162693740

About (2R,5S)-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,6S,7S)-2-[(2R,4S,5R)-2-[[(3aS,7R,8aS)-8-hydroxy-5-(hydroxymethyl)-2-methyl-3a,5,6,7,8,8a-hexahydrooxepino[3,2-d][1,3]oxazol-7-yl]oxy]-6-[[(2S,4S,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,5S)-5-acetamido-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]oxy-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-acetamido-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepane-2-carboxamide

(2R,5S)-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,6S,7S)-2-[(2R,4S,5R)-2-[[(3aS,7R,8aS)-8-hydroxy-5-(hydroxymethyl)-2-methyl-3a,5,6,7,8,8a-hexahydrooxepino[3,2-d][1,3]oxazol-7-yl]oxy]-6-[[(2S,4S,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,5S)-5-acetamido-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]oxy-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-acetamido-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepane-2-carboxamide (PubChem CID 162693740) has the molecular formula C96H163N13O60 and a molecular weight of 2459.39 g/mol. Its IUPAC name is (2R,5S)-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,6S,7S)-2-[(2R,4S,5R)-2-[[(3aS,7R,8aS)-8-hydroxy-5-(hydroxymethyl)-2-methyl-3a,5,6,7,8,8a-hexahydrooxepino[3,2-d][1,3]oxazol-7-yl]oxy]-6-[[(2S,4S,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,5S)-5-acetamido-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]oxy-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-acetamido-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepane-2-carboxamide.

Molecular Properties

• Compound Name: (2R,5S)-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,6S,7S)-2-[(2R,4S,5R)-2-[[(3aS,7R,8aS)-8-hydroxy-5-(hydroxymethyl)-2-methyl-3a,5,6,7,8,8a-hexahydrooxepino[3,2-d][1,3]oxazol-7-yl]oxy]-6-[[(2S,4S,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,5S)-5-acetamido-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]oxy-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-acetamido-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepane-2-carboxamide
• PubChem CID: 162693740
• Molecular Formula: C96H163N13O60
• Molecular Weight: 2459.39 g/mol
• Exact Mass: 2458.01
• IUPAC Name: (2R,5S)-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,6S,7S)-2-[(2R,4S,5R)-2-[[(3aS,7R,8aS)-8-hydroxy-5-(hydroxymethyl)-2-methyl-3a,5,6,7,8,8a-hexahydrooxepino[3,2-d][1,3]oxazol-7-yl]oxy]-6-[[(2S,4S,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,5S)-5-acetamido-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]oxy-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-acetamido-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepane-2-carboxamide
• SMILES: CC(=O)NC1[C@H](OC2[C@@H](OCC3O[C@@H](O[C@@H]4CC(CO)O[C@H]5OC(C)=N[C@H]5C4O)C(O)[C@@H](O[C@H]4O[C@@H](CO)[C@@H](O)CC(O)C4O[C@@H]4OC(CO)[C@@H](O[C@@H]5OC(CO[C@]6(C(=O)NCCOCCOCCOCCN=[N+]=[N-])CC(O)[C@@H](NC(C)=O)CC([C@H](O)[C@H](O)CO)O6)[C@H](O)C(O)[C@@H]5O)C(O)[C@@H]4NC(C)=O)[C@@H]3O)OC(CO)[C@@H](O)[C@@H]2O)OC(CO)[C@@H](O[C@@H]2OC(CO[C@]3(C(=O)NCCOCCOCCOCCN=[N+]=[N-])CC(O)[C@@H](NC(C)=O)CC([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)C2O)[C@@H]1O
• InChI: InChI=1S/C96H163N13O60/c1-38(117)103-44-23-53(65(127)50(125)29-111)168-95(26-48(44)123,93(142)99-6-10-144-14-18-148-20-16-146-12-8-101-108-97)151-36-60-69(131)74(136)77(139)88(161-60)164-81-57(33-115)158-86(63(72(81)134)105-40(3)119)163-80-47(122)25-46(121)55(31-113)156-92(80)166-83-71(133)59(160-90(79(83)141)155-52-22-43(28-110)154-85-62(67(52)129)107-42(5)153-85)35-150-91-84(76(138)68(130)56(32-114)157-91)167-87-64(106-41(4)120)73(135)82(58(34-116)159-87)165-89-78(140)75(137)70(132)61(162-89)37-152-96(94(143)100-7-11-145-15-19-149-21-17-147-13-9-102-109-98)27-49(124)45(104-39(2)118)24-54(169-96)66(128)51(126)30-112/h43-92,110-116,121-141H,6-37H2,1-5H3,(H,99,142)(H,100,143)(H,103,117)(H,104,118)(H,105,119)(H,106,120)/t43?,44-,45-,46-,47?,48?,49?,50+,51+,52+,53?,54?,55-,56?,57?,58?,59?,60?,61?,62-,63-,64?,65+,66+,67?,68+,69-,70-,71+,72?,73+,74?,75-,76-,77-,78?,79?,80?,81+,82+,83-,84?,85+,86-,87-,88-,89-,90+,91-,92+,95+,96+/m0/s1
• InChIKey: AAQNLGRFNHOKNE-RTWUMFJPSA-N
• XLogP: -20.01
• TPSA: 1090.90 Ų
• H-Bond Donors: 34
• H-Bond Acceptors: 63
• Rotatable Bonds: 62
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2459.39
LogP ≤ 5	-20.01
H-Bond Donors ≤ 5	34
H-Bond Acceptors ≤ 10	63

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 (2R,5S)-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,6S,7S)-2-[(2R,4S,5R)-2-[[(3aS,7R,8aS)-8-hydroxy-5-(hydroxymethyl)-2-methyl-3a,5,6,7,8,8a-hexahydrooxepino[3,2-d][1,3]oxazol-7-yl]oxy]-6-[[(2S,4S,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,5S)-5-acetamido-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]oxy-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-acetamido-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepane-2-carboxamide?

The IUPAC name of (2R,5S)-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,6S,7S)-2-[(2R,4S,5R)-2-[[(3aS,7R,8aS)-8-hydroxy-5-(hydroxymethyl)-2-methyl-3a,5,6,7,8,8a-hexahydrooxepino[3,2-d][1,3]oxazol-7-yl]oxy]-6-[[(2S,4S,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,5S)-5-acetamido-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]oxy-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-acetamido-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepane-2-carboxamide (CID 162693740) is (2R,5S)-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,6S,7S)-2-[(2R,4S,5R)-2-[[(3aS,7R,8aS)-8-hydroxy-5-(hydroxymethyl)-2-methyl-3a,5,6,7,8,8a-hexahydrooxepino[3,2-d][1,3]oxazol-7-yl]oxy]-6-[[(2S,4S,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,5S)-5-acetamido-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]oxy-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-acetamido-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepane-2-carboxamide.

What is the SMILES notation for (2R,5S)-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,6S,7S)-2-[(2R,4S,5R)-2-[[(3aS,7R,8aS)-8-hydroxy-5-(hydroxymethyl)-2-methyl-3a,5,6,7,8,8a-hexahydrooxepino[3,2-d][1,3]oxazol-7-yl]oxy]-6-[[(2S,4S,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,5S)-5-acetamido-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]oxy-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-acetamido-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepane-2-carboxamide?

The canonical SMILES for (2R,5S)-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,6S,7S)-2-[(2R,4S,5R)-2-[[(3aS,7R,8aS)-8-hydroxy-5-(hydroxymethyl)-2-methyl-3a,5,6,7,8,8a-hexahydrooxepino[3,2-d][1,3]oxazol-7-yl]oxy]-6-[[(2S,4S,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,5S)-5-acetamido-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]oxy-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-acetamido-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepane-2-carboxamide is CC(=O)NC1[C@H](OC2[C@@H](OCC3O[C@@H](O[C@@H]4CC(CO)O[C@H]5OC(C)=N[C@H]5C4O)C(O)[C@@H](O[C@H]4O[C@@H](CO)[C@@H](O)CC(O)C4O[C@@H]4OC(CO)[C@@H](O[C@@H]5OC(CO[C@]6(C(=O)NCCOCCOCCOCCN=[N+]=[N-])CC(O)[C@@H](NC(C)=O)CC([C@H](O)[C@H](O)CO)O6)[C@H](O)C(O)[C@@H]5O)C(O)[C@@H]4NC(C)=O)[C@@H]3O)OC(CO)[C@@H](O)[C@@H]2O)OC(CO)[C@@H](O[C@@H]2OC(CO[C@]3(C(=O)NCCOCCOCCOCCN=[N+]=[N-])CC(O)[C@@H](NC(C)=O)CC([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)C2O)[C@@H]1O.

What is the InChIKey of (2R,5S)-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,6S,7S)-2-[(2R,4S,5R)-2-[[(3aS,7R,8aS)-8-hydroxy-5-(hydroxymethyl)-2-methyl-3a,5,6,7,8,8a-hexahydrooxepino[3,2-d][1,3]oxazol-7-yl]oxy]-6-[[(2S,4S,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,5S)-5-acetamido-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]oxy-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-acetamido-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepane-2-carboxamide?

The InChIKey is AAQNLGRFNHOKNE-RTWUMFJPSA-N. The full InChI is InChI=1S/C96H163N13O60/c1-38(117)103-44-23-53(65(127)50(125)29-111)168-95(26-48(44)123,93(142)99-6-10-144-14-18-148-20-16-146-12-8-101-108-97)151-36-60-69(131)74(136)77(139)88(161-60)164-81-57(33-115)158-86(63(72(81)134)105-40(3)119)163-80-47(122)25-46(121)55(31-113)156-92(80)166-83-71(133)59(160-90(79(83)141)155-52-22-43(28-110)154-85-62(67(52)129)107-42(5)153-85)35-150-91-84(76(138)68(130)56(32-114)157-91)167-87-64(106-41(4)120)73(135)82(58(34-116)159-87)165-89-78(140)75(137)70(132)61(162-89)37-152-96(94(143)100-7-11-145-15-19-149-21-17-147-13-9-102-109-98)27-49(124)45(104-39(2)118)24-54(169-96)66(128)51(126)30-112/h43-92,110-116,121-141H,6-37H2,1-5H3,(H,99,142)(H,100,143)(H,103,117)(H,104,118)(H,105,119)(H,106,120)/t43?,44-,45-,46-,47?,48?,49?,50+,51+,52+,53?,54?,55-,56?,57?,58?,59?,60?,61?,62-,63-,64?,65+,66+,67?,68+,69-,70-,71+,72?,73+,74?,75-,76-,77-,78?,79?,80?,81+,82+,83-,84?,85+,86-,87-,88-,89-,90+,91-,92+,95+,96+/m0/s1.

What are the key properties of (2R,5S)-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,6S,7S)-2-[(2R,4S,5R)-2-[[(3aS,7R,8aS)-8-hydroxy-5-(hydroxymethyl)-2-methyl-3a,5,6,7,8,8a-hexahydrooxepino[3,2-d][1,3]oxazol-7-yl]oxy]-6-[[(2S,4S,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,5S)-5-acetamido-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]oxy-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-acetamido-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepane-2-carboxamide?

(2R,5S)-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,6S,7S)-2-[(2R,4S,5R)-2-[[(3aS,7R,8aS)-8-hydroxy-5-(hydroxymethyl)-2-methyl-3a,5,6,7,8,8a-hexahydrooxepino[3,2-d][1,3]oxazol-7-yl]oxy]-6-[[(2S,4S,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,5S)-5-acetamido-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]oxy-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-acetamido-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepane-2-carboxamide has a molecular weight of 2459.39 g/mol, XLogP of -20.01, 62 rotatable bonds, 34 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,6S,7S)-2-[(2R,4S,5R)-2-[[(3aS,7R,8aS)-8-hydroxy-5-(hydroxymethyl)-2-methyl-3a,5,6,7,8,8a-hexahydrooxepino[3,2-d][1,3]oxazol-7-yl]oxy]-6-[[(2S,4S,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,5S)-5-acetamido-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]oxy-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-acetamido-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-hydroxy-7-[(1R,2R)-1,2,3-trihydroxypropyl]oxepane-2-carboxamide is sourced from PubChem (CID 162693740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).