(2R,4R,5R)-5-acetamido-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(1R,2R,4R)-1-[(3R,4S,6S)-4-[(2R,5S,6S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-5-acetamido-2-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-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]oxy-6-[[(3aR,6S,7R)-7-hydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-3,5,6-trihydroxyhexoxy]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C82H139N9O57 — CID 176584667

About (2R,4R,5R)-5-acetamido-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(1R,2R,4R)-1-[(3R,4S,6S)-4-[(2R,5S,6S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-5-acetamido-2-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-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]oxy-6-[[(3aR,6S,7R)-7-hydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-3,5,6-trihydroxyhexoxy]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

(2R,4R,5R)-5-acetamido-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(1R,2R,4R)-1-[(3R,4S,6S)-4-[(2R,5S,6S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-5-acetamido-2-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-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]oxy-6-[[(3aR,6S,7R)-7-hydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-3,5,6-trihydroxyhexoxy]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 176584667) has the molecular formula C82H139N9O57 and a molecular weight of 2163.02 g/mol. Its IUPAC name is (2R,4R,5R)-5-acetamido-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(1R,2R,4R)-1-[(3R,4S,6S)-4-[(2R,5S,6S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-5-acetamido-2-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-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]oxy-6-[[(3aR,6S,7R)-7-hydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-3,5,6-trihydroxyhexoxy]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,4R,5R)-5-acetamido-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(1R,2R,4R)-1-[(3R,4S,6S)-4-[(2R,5S,6S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-5-acetamido-2-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-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]oxy-6-[[(3aR,6S,7R)-7-hydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-3,5,6-trihydroxyhexoxy]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• PubChem CID: 176584667
• Molecular Formula: C82H139N9O57
• Molecular Weight: 2163.02 g/mol
• Exact Mass: 2161.83
• IUPAC Name: (2R,4R,5R)-5-acetamido-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(1R,2R,4R)-1-[(3R,4S,6S)-4-[(2R,5S,6S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-5-acetamido-2-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-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]oxy-6-[[(3aR,6S,7R)-7-hydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-3,5,6-trihydroxyhexoxy]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• SMILES: CC(=O)NC1[C@H](OC2C(O)[C@H](O)[C@H](CO)O[C@@H]2O[C@H](C(O)[C@@H](O)O[C@@H]2C(CO)O[C@@H]3OC(C)=NC3[C@H]2O)[C@H](O)CCO[C@@H](O)[C@H](O[C@@H]2OC(CO)[C@@H](O[C@@H]3OC(CO[C@]4(C(=O)O)C[C@@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)C3O)[C@H](O)C2NC(C)=O)C(O)[C@H](O)CCO)OC(CO)[C@@H](O[C@@H]2OC(CO[C@]3(C(=O)NCCOCCOCCN=[N+]=[N-])C[C@@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)C2O)[C@@H]1O
• InChI: InChI=1S/C82H139N9O57/c1-26(99)86-43-33(105)16-81(147-67(43)49(110)35(107)18-93,79(126)84-8-12-129-14-15-130-13-9-85-91-83)132-24-41-52(113)57(118)60(121)76(139-41)144-66-40(23-98)138-75(46(55(66)116)89-29(4)102)146-70-59(120)51(112)37(20-95)135-78(70)142-63(62(123)71(124)141-64-38(21-96)136-73-47(56(64)117)90-30(5)134-73)32(104)7-11-131-72(125)69(48(109)31(103)6-10-92)145-74-45(88-28(3)101)54(115)65(39(22-97)137-74)143-77-61(122)58(119)53(114)42(140-77)25-133-82(80(127)128)17-34(106)44(87-27(2)100)68(148-82)50(111)36(108)19-94/h31-78,92-98,103-125H,6-25H2,1-5H3,(H,84,126)(H,86,99)(H,87,100)(H,88,101)(H,89,102)(H,127,128)/t31-,32-,33-,34-,35-,36-,37+,38?,39?,40?,41?,42?,43-,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-,81-,82-/m1/s1
• InChIKey: GWCYNXNNOOXSRC-AXSQEJCXSA-N
• XLogP: -22.01
• TPSA: 1035.42 Ų
• H-Bond Donors: 36
• H-Bond Acceptors: 58
• Rotatable Bonds: 55
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2163.02
LogP ≤ 5	-22.01
H-Bond Donors ≤ 5	36
H-Bond Acceptors ≤ 10	58

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-acetamido-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(1R,2R,4R)-1-[(3R,4S,6S)-4-[(2R,5S,6S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-5-acetamido-2-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-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]oxy-6-[[(3aR,6S,7R)-7-hydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-3,5,6-trihydroxyhexoxy]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The IUPAC name of (2R,4R,5R)-5-acetamido-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(1R,2R,4R)-1-[(3R,4S,6S)-4-[(2R,5S,6S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-5-acetamido-2-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-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]oxy-6-[[(3aR,6S,7R)-7-hydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-3,5,6-trihydroxyhexoxy]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 176584667) is (2R,4R,5R)-5-acetamido-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(1R,2R,4R)-1-[(3R,4S,6S)-4-[(2R,5S,6S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-5-acetamido-2-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-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]oxy-6-[[(3aR,6S,7R)-7-hydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-3,5,6-trihydroxyhexoxy]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

What is the SMILES notation for (2R,4R,5R)-5-acetamido-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(1R,2R,4R)-1-[(3R,4S,6S)-4-[(2R,5S,6S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-5-acetamido-2-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-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]oxy-6-[[(3aR,6S,7R)-7-hydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-3,5,6-trihydroxyhexoxy]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The canonical SMILES for (2R,4R,5R)-5-acetamido-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(1R,2R,4R)-1-[(3R,4S,6S)-4-[(2R,5S,6S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-5-acetamido-2-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-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]oxy-6-[[(3aR,6S,7R)-7-hydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-3,5,6-trihydroxyhexoxy]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is CC(=O)NC1[C@H](OC2C(O)[C@H](O)[C@H](CO)O[C@@H]2O[C@H](C(O)[C@@H](O)O[C@@H]2C(CO)O[C@@H]3OC(C)=NC3[C@H]2O)[C@H](O)CCO[C@@H](O)[C@H](O[C@@H]2OC(CO)[C@@H](O[C@@H]3OC(CO[C@]4(C(=O)O)C[C@@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)C3O)[C@H](O)C2NC(C)=O)C(O)[C@H](O)CCO)OC(CO)[C@@H](O[C@@H]2OC(CO[C@]3(C(=O)NCCOCCOCCN=[N+]=[N-])C[C@@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)C2O)[C@@H]1O.

What is the InChIKey of (2R,4R,5R)-5-acetamido-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(1R,2R,4R)-1-[(3R,4S,6S)-4-[(2R,5S,6S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-5-acetamido-2-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-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]oxy-6-[[(3aR,6S,7R)-7-hydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-3,5,6-trihydroxyhexoxy]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The InChIKey is GWCYNXNNOOXSRC-AXSQEJCXSA-N. The full InChI is InChI=1S/C82H139N9O57/c1-26(99)86-43-33(105)16-81(147-67(43)49(110)35(107)18-93,79(126)84-8-12-129-14-15-130-13-9-85-91-83)132-24-41-52(113)57(118)60(121)76(139-41)144-66-40(23-98)138-75(46(55(66)116)89-29(4)102)146-70-59(120)51(112)37(20-95)135-78(70)142-63(62(123)71(124)141-64-38(21-96)136-73-47(56(64)117)90-30(5)134-73)32(104)7-11-131-72(125)69(48(109)31(103)6-10-92)145-74-45(88-28(3)101)54(115)65(39(22-97)137-74)143-77-61(122)58(119)53(114)42(140-77)25-133-82(80(127)128)17-34(106)44(87-27(2)100)68(148-82)50(111)36(108)19-94/h31-78,92-98,103-125H,6-25H2,1-5H3,(H,84,126)(H,86,99)(H,87,100)(H,88,101)(H,89,102)(H,127,128)/t31-,32-,33-,34-,35-,36-,37+,38?,39?,40?,41?,42?,43-,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-,81-,82-/m1/s1.

What are the key properties of (2R,4R,5R)-5-acetamido-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(1R,2R,4R)-1-[(3R,4S,6S)-4-[(2R,5S,6S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-5-acetamido-2-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-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]oxy-6-[[(3aR,6S,7R)-7-hydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-3,5,6-trihydroxyhexoxy]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

(2R,4R,5R)-5-acetamido-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(1R,2R,4R)-1-[(3R,4S,6S)-4-[(2R,5S,6S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-5-acetamido-2-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-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]oxy-6-[[(3aR,6S,7R)-7-hydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-3,5,6-trihydroxyhexoxy]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid has a molecular weight of 2163.02 g/mol, XLogP of -22.01, 55 rotatable bonds, 36 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R,5R)-5-acetamido-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(1R,2R,4R)-1-[(3R,4S,6S)-4-[(2R,5S,6S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-5-acetamido-2-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-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]oxy-6-[[(3aR,6S,7R)-7-hydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-3,5,6-trihydroxyhexoxy]-1,3,4,6-tetrahydroxyhexan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 176584667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).