5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,5R)-2-[5-[3-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;[2-[[5-acetyloxy-4-(3-benzoyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxy-6-methoxy-3-methyloxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl] benzoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate

C185H317N9O71 — CID 161039958

About 5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,5R)-2-[5-[3-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;[2-[[5-acetyloxy-4-(3-benzoyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxy-6-methoxy-3-methyloxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl] benzoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate

5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,5R)-2-[5-[3-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;[2-[[5-acetyloxy-4-(3-benzoyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxy-6-methoxy-3-methyloxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl] benzoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate (PubChem CID 161039958) has the molecular formula C185H317N9O71 and a molecular weight of 3803.56 g/mol. Its IUPAC name is 5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,5R)-2-[5-[3-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;[2-[[5-acetyloxy-4-(3-benzoyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxy-6-methoxy-3-methyloxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl] benzoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate.

Molecular Properties

• Compound Name: 5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,5R)-2-[5-[3-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;[2-[[5-acetyloxy-4-(3-benzoyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxy-6-methoxy-3-methyloxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl] benzoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate
• PubChem CID: 161039958
• Molecular Formula: C185H317N9O71
• Molecular Weight: 3803.56 g/mol
• Exact Mass: 3801.15
• IUPAC Name: 5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,5R)-2-[5-[3-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;[2-[[5-acetyloxy-4-(3-benzoyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxy-6-methoxy-3-methyloxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl] benzoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate
• SMILES: CC(=O)NC1C(O)[C@@H](O)C(CO)O[C@H]1OCCCCCOCC(C)(COCCCCCO[C@@H]1OC(CO)[C@H](O)C(O)[C@@H]1NC(C)=O)COCCCCCO[C@@H]1OC(CO)[C@H](O)C(O)[C@@H]1NC(C)=O.CC(=O)N[C@H]1C(O)[C@@H](O)C(CO)O[C@H]1OCCCCC(=O)CCC(C)CNC(=O)CCCCO[C@@H]1OC(CO)[C@H](O)C(O)[C@@H]1NC(C)=O.CC1C(OCCCC(=O)CCCCCCCNC(=O)OCCCC(C)(CCCOC(=O)CCCCCCCNC(=O)CCCOC2OC(CO)C(O)C(O)C2C)CCCOC(=O)CCCCCCCNC(=O)CCCOC2OC(CO)C(O)C(O)C2C)OC(CO)C(O)C1O.CCC1OC(OCC2OC(OC)C(OC(C)=O)C(OC3OC(CC)C(C)C(C)C3OC(=O)c3ccccc3)C2C)C(OC(=O)c2ccccc2)C(C)C1C
• InChI: InChI=1S/C68H123N3O24.C44H81N3O21.C42H58O12.C31H55N3O14/c1-47-58(80)61(83)51(44-72)93-64(47)89-38-20-27-50(75)26-14-8-5-13-19-37-71-67(86)92-43-25-34-68(4,32-23-41-87-56(78)30-15-9-6-11-17-35-69-54(76)28-21-39-90-65-48(2)59(81)62(84)52(45-73)94-65)33-24-42-88-57(79)31-16-10-7-12-18-36-70-55(77)29-22-40-91-66-49(3)60(82)63(85)53(46-74)95-66;1-26(51)45-32-38(57)35(54)29(20-48)66-41(32)63-17-11-5-8-14-60-23-44(4,24-61-15-9-6-12-18-64-42-33(46-27(2)52)39(58)36(55)30(21-49)67-42)25-62-16-10-7-13-19-65-43-34(47-28(3)53)40(59)37(56)31(22-50)68-43;1-10-31-23(3)25(5)35(52-38(44)29-18-14-12-15-19-29)41(49-31)47-22-33-27(7)34(37(48-28(8)43)40(46-9)51-33)54-42-36(26(6)24(4)32(11-2)50-42)53-39(45)30-20-16-13-17-21-30;1-17(10-11-20(39)8-4-6-12-45-30-24(33-18(2)37)28(43)26(41)21(15-35)47-30)14-32-23(40)9-5-7-13-46-31-25(34-19(3)38)29(44)27(42)22(16-36)48-31/h47-49,51-53,58-66,72-74,80-85H,5-46H2,1-4H3,(H,69,76)(H,70,77)(H,71,86);29-43,48-50,54-59H,5-25H2,1-4H3,(H,45,51)(H,46,52)(H,47,53);12-21,23-27,31-37,40-42H,10-11,22H2,1-9H3;17,21-22,24-31,35-36,41-44H,4-16H2,1-3H3,(H,32,40)(H,33,37)(H,34,38)/t;29?,30?,31?,32-,33-,34?,35-,36-,37-,38?,39?,40?,41+,42+,43+,44?;;17?,21?,22?,24-,25-,26-,27-,28?,29?,30+,31+/m.0.0/s1
• InChIKey: UATCVRSWKMVLAL-ALQVSKSQSA-N
• XLogP: 4.96
• TPSA: 1153.04 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 71
• Rotatable Bonds: 121
• Heavy Atoms: 265
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3803.56
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	33
H-Bond Acceptors ≤ 10	71

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,5R)-2-[5-[3-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;[2-[[5-acetyloxy-4-(3-benzoyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxy-6-methoxy-3-methyloxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl] benzoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate?

The IUPAC name of 5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,5R)-2-[5-[3-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;[2-[[5-acetyloxy-4-(3-benzoyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxy-6-methoxy-3-methyloxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl] benzoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate (CID 161039958) is 5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,5R)-2-[5-[3-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;[2-[[5-acetyloxy-4-(3-benzoyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxy-6-methoxy-3-methyloxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl] benzoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate.

What is the SMILES notation for 5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,5R)-2-[5-[3-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;[2-[[5-acetyloxy-4-(3-benzoyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxy-6-methoxy-3-methyloxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl] benzoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate?

The canonical SMILES for 5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,5R)-2-[5-[3-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;[2-[[5-acetyloxy-4-(3-benzoyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxy-6-methoxy-3-methyloxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl] benzoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate is CC(=O)NC1C(O)[C@@H](O)C(CO)O[C@H]1OCCCCCOCC(C)(COCCCCCO[C@@H]1OC(CO)[C@H](O)C(O)[C@@H]1NC(C)=O)COCCCCCO[C@@H]1OC(CO)[C@H](O)C(O)[C@@H]1NC(C)=O.CC(=O)N[C@H]1C(O)[C@@H](O)C(CO)O[C@H]1OCCCCC(=O)CCC(C)CNC(=O)CCCCO[C@@H]1OC(CO)[C@H](O)C(O)[C@@H]1NC(C)=O.CC1C(OCCCC(=O)CCCCCCCNC(=O)OCCCC(C)(CCCOC(=O)CCCCCCCNC(=O)CCCOC2OC(CO)C(O)C(O)C2C)CCCOC(=O)CCCCCCCNC(=O)CCCOC2OC(CO)C(O)C(O)C2C)OC(CO)C(O)C1O.CCC1OC(OCC2OC(OC)C(OC(C)=O)C(OC3OC(CC)C(C)C(C)C3OC(=O)c3ccccc3)C2C)C(OC(=O)c2ccccc2)C(C)C1C.

What is the InChIKey of 5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,5R)-2-[5-[3-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;[2-[[5-acetyloxy-4-(3-benzoyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxy-6-methoxy-3-methyloxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl] benzoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate?

The InChIKey is UATCVRSWKMVLAL-ALQVSKSQSA-N. The full InChI is InChI=1S/C68H123N3O24.C44H81N3O21.C42H58O12.C31H55N3O14/c1-47-58(80)61(83)51(44-72)93-64(47)89-38-20-27-50(75)26-14-8-5-13-19-37-71-67(86)92-43-25-34-68(4,32-23-41-87-56(78)30-15-9-6-11-17-35-69-54(76)28-21-39-90-65-48(2)59(81)62(84)52(45-73)94-65)33-24-42-88-57(79)31-16-10-7-12-18-36-70-55(77)29-22-40-91-66-49(3)60(82)63(85)53(46-74)95-66;1-26(51)45-32-38(57)35(54)29(20-48)66-41(32)63-17-11-5-8-14-60-23-44(4,24-61-15-9-6-12-18-64-42-33(46-27(2)52)39(58)36(55)30(21-49)67-42)25-62-16-10-7-13-19-65-43-34(47-28(3)53)40(59)37(56)31(22-50)68-43;1-10-31-23(3)25(5)35(52-38(44)29-18-14-12-15-19-29)41(49-31)47-22-33-27(7)34(37(48-28(8)43)40(46-9)51-33)54-42-36(26(6)24(4)32(11-2)50-42)53-39(45)30-20-16-13-17-21-30;1-17(10-11-20(39)8-4-6-12-45-30-24(33-18(2)37)28(43)26(41)21(15-35)47-30)14-32-23(40)9-5-7-13-46-31-25(34-19(3)38)29(44)27(42)22(16-36)48-31/h47-49,51-53,58-66,72-74,80-85H,5-46H2,1-4H3,(H,69,76)(H,70,77)(H,71,86);29-43,48-50,54-59H,5-25H2,1-4H3,(H,45,51)(H,46,52)(H,47,53);12-21,23-27,31-37,40-42H,10-11,22H2,1-9H3;17,21-22,24-31,35-36,41-44H,4-16H2,1-3H3,(H,32,40)(H,33,37)(H,34,38)/t;29?,30?,31?,32-,33-,34?,35-,36-,37-,38?,39?,40?,41+,42+,43+,44?;;17?,21?,22?,24-,25-,26-,27-,28?,29?,30+,31+/m.0.0/s1.

What are the key properties of 5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,5R)-2-[5-[3-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;[2-[[5-acetyloxy-4-(3-benzoyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxy-6-methoxy-3-methyloxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl] benzoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate?

5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,5R)-2-[5-[3-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;[2-[[5-acetyloxy-4-(3-benzoyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxy-6-methoxy-3-methyloxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl] benzoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate has a molecular weight of 3803.56 g/mol, XLogP of 4.96, 121 rotatable bonds, 33 hydrogen bond donors, and 71 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,5R)-2-[5-[3-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;[2-[[5-acetyloxy-4-(3-benzoyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxy-6-methoxy-3-methyloxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl] benzoate;[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-7-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]-4-methylheptyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate is sourced from PubChem (CID 161039958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).