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-benzoyloxy-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;N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-7-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-6-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-6-methylheptanamide

C244H420N12O97 — CID 158687538

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-benzoyloxy-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;N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-7-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-6-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-6-methylheptanamide

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-benzoyloxy-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;N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-7-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-6-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-6-methylheptanamide (PubChem CID 158687538) has the molecular formula C244H420N12O97 and a molecular weight of 5074.03 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-benzoyloxy-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;N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-7-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-6-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-6-methylheptanamide.

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-benzoyloxy-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;N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-7-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-6-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-6-methylheptanamide
• PubChem CID: 158687538
• Molecular Formula: C244H420N12O97
• Molecular Weight: 5074.03 g/mol
• Exact Mass: 5070.83
• 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-benzoyloxy-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;N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-7-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-6-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-6-methylheptanamide
• 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.CC1C(OCCOCCOCCNC(=O)CCCCC(C)(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2C)COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2C)OC(CO)C(O)C1O.CCC1OC(OCC2OC(OC)C(OC(=O)c3ccccc3)C(OC3OC(CC)C(C)C(C)C3OC(=O)c3ccccc3)C2C)C(OC(=O)c2ccccc2)C(C)C1C
• InChI: InChI=1S/C68H123N3O24.C54H101N3O26.C47H60O12.C44H81N3O21.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;1-36-45(64)48(67)39(31-58)81-51(36)78-28-25-73-22-19-70-16-11-55-42(61)7-5-6-10-54(4,34-76-14-8-43(62)56-12-17-71-20-23-74-26-29-79-52-37(2)46(65)49(68)40(32-59)82-52)35-77-15-9-44(63)57-13-18-72-21-24-75-27-30-80-53-38(3)47(66)50(69)41(33-60)83-53;1-9-35-27(3)29(5)39(56-42(48)32-20-14-11-15-21-32)46(53-35)52-26-37-31(7)38(41(45(51-8)55-37)58-44(50)34-24-18-13-19-25-34)59-47-40(30(6)28(4)36(10-2)54-47)57-43(49)33-22-16-12-17-23-33;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;1-17(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);36-41,45-53,58-60,64-69H,5-35H2,1-4H3,(H,55,61)(H,56,62)(H,57,63);11-25,27-31,35-41,45-47H,9-10,26H2,1-8H3;29-43,48-50,54-59H,5-25H2,1-4H3,(H,45,51)(H,46,52)(H,47,53);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...00/s1
• InChIKey: IFXUSGZYWZWECU-RVKOVRQVSA-N
• XLogP: 2.34
• TPSA: 1551.63 Ų
• H-Bond Donors: 45
• H-Bond Acceptors: 97
• Rotatable Bonds: 170
• Heavy Atoms: 353
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5074.03
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	45
H-Bond Acceptors ≤ 10	97

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-benzoyloxy-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;N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-7-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-6-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-6-methylheptanamide?

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-benzoyloxy-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;N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-7-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-6-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-6-methylheptanamide (CID 158687538) 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-benzoyloxy-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;N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-7-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-6-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-6-methylheptanamide.

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-benzoyloxy-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;N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-7-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-6-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-6-methylheptanamide?

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-benzoyloxy-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;N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-7-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-6-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-6-methylheptanamide 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.CC1C(OCCOCCOCCNC(=O)CCCCC(C)(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2C)COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2C)OC(CO)C(O)C1O.CCC1OC(OCC2OC(OC)C(OC(=O)c3ccccc3)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-benzoyloxy-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;N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-7-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-6-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-6-methylheptanamide?

The InChIKey is IFXUSGZYWZWECU-RVKOVRQVSA-N. The full InChI is InChI=1S/C68H123N3O24.C54H101N3O26.C47H60O12.C44H81N3O21.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;1-36-45(64)48(67)39(31-58)81-51(36)78-28-25-73-22-19-70-16-11-55-42(61)7-5-6-10-54(4,34-76-14-8-43(62)56-12-17-71-20-23-74-26-29-79-52-37(2)46(65)49(68)40(32-59)82-52)35-77-15-9-44(63)57-13-18-72-21-24-75-27-30-80-53-38(3)47(66)50(69)41(33-60)83-53;1-9-35-27(3)29(5)39(56-42(48)32-20-14-11-15-21-32)46(53-35)52-26-37-31(7)38(41(45(51-8)55-37)58-44(50)34-24-18-13-19-25-34)59-47-40(30(6)28(4)36(10-2)54-47)57-43(49)33-22-16-12-17-23-33;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;1-17(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);36-41,45-53,58-60,64-69H,5-35H2,1-4H3,(H,55,61)(H,56,62)(H,57,63);11-25,27-31,35-41,45-47H,9-10,26H2,1-8H3;29-43,48-50,54-59H,5-25H2,1-4H3,(H,45,51)(H,46,52)(H,47,53);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...00/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-benzoyloxy-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;N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-7-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-6-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-6-methylheptanamide?

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-benzoyloxy-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;N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-7-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-6-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-6-methylheptanamide has a molecular weight of 5074.03 g/mol, XLogP of 2.34, 170 rotatable bonds, 45 hydrogen bond donors, and 97 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-benzoyloxy-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;N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-7-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-6-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-6-methylheptanamide is sourced from PubChem (CID 158687538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).