[(2R,3S,5R)-3-[[(2S,4R)-1-[10-[[1-[13-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]methyl]-3-[7-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]-4-hydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2S,4R)-4-hydroxy-1-[10-[[1-(13-hydroxy-3,9-dioxotridecoxy)-2-[[3-[(9-hydroxy-5-oxononyl)amino]-3-oxopropoxy]methyl]-3-[7-(5-hydroxypentanoylamino)-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]pyrrolidin-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate;methanol

C170H289N26O70P5 — CID 158767352

About [(2R,3S,5R)-3-[[(2S,4R)-1-[10-[[1-[13-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]methyl]-3-[7-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]-4-hydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2S,4R)-4-hydroxy-1-[10-[[1-(13-hydroxy-3,9-dioxotridecoxy)-2-[[3-[(9-hydroxy-5-oxononyl)amino]-3-oxopropoxy]methyl]-3-[7-(5-hydroxypentanoylamino)-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]pyrrolidin-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate;methanol

[(2R,3S,5R)-3-[[(2S,4R)-1-[10-[[1-[13-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]methyl]-3-[7-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]-4-hydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2S,4R)-4-hydroxy-1-[10-[[1-(13-hydroxy-3,9-dioxotridecoxy)-2-[[3-[(9-hydroxy-5-oxononyl)amino]-3-oxopropoxy]methyl]-3-[7-(5-hydroxypentanoylamino)-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]pyrrolidin-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate;methanol (PubChem CID 158767352) has the molecular formula C170H289N26O70P5 and a molecular weight of 3972.16 g/mol. Its IUPAC name is [(2R,3S,5R)-3-[[(2S,4R)-1-[10-[[1-[13-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]methyl]-3-[7-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]-4-hydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2S,4R)-4-hydroxy-1-[10-[[1-(13-hydroxy-3,9-dioxotridecoxy)-2-[[3-[(9-hydroxy-5-oxononyl)amino]-3-oxopropoxy]methyl]-3-[7-(5-hydroxypentanoylamino)-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]pyrrolidin-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate;methanol.

Molecular Properties

• Compound Name: [(2R,3S,5R)-3-[[(2S,4R)-1-[10-[[1-[13-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]methyl]-3-[7-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]-4-hydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2S,4R)-4-hydroxy-1-[10-[[1-(13-hydroxy-3,9-dioxotridecoxy)-2-[[3-[(9-hydroxy-5-oxononyl)amino]-3-oxopropoxy]methyl]-3-[7-(5-hydroxypentanoylamino)-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]pyrrolidin-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate;methanol
• PubChem CID: 158767352
• Molecular Formula: C170H289N26O70P5
• Molecular Weight: 3972.16 g/mol
• Exact Mass: 3969.85
• IUPAC Name: [(2R,3S,5R)-3-[[(2S,4R)-1-[10-[[1-[13-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]methyl]-3-[7-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]-4-hydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2S,4R)-4-hydroxy-1-[10-[[1-(13-hydroxy-3,9-dioxotridecoxy)-2-[[3-[(9-hydroxy-5-oxononyl)amino]-3-oxopropoxy]methyl]-3-[7-(5-hydroxypentanoylamino)-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]pyrrolidin-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate;methanol
• SMILES: CO.COP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O.COP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1OP(=O)(O)OC[C@@H]1C[C@@H](O)CN1C(=O)CCCCCCCCC(=O)NC(COCCC(=O)CCCCCC(=O)CCCCO)(COCCC(=O)CCCCNC(=O)CCCCO)COCCC(=O)NCCCCC(=O)CCCCO.COP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1OP(=O)(O)OC[C@@H]1C[C@@H](O)CN1C(=O)CCCCCCCCC(=O)NC(COCCC(=O)CCCCCC(=O)CCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O)(COCCC(=O)CCCCNC(=O)CCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O)COCCC(=O)NCCCCC(=O)CCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O
• InChI: InChI=1S/C91H154N12O39P2.C67H115N9O24P2.C11H16N5O6P.CH4O/c1-57(107)98-76-83(122)80(119)67(47-104)139-88(76)133-38-21-16-28-61(110)24-10-9-11-25-63(112)33-41-130-52-91(53-131-42-34-64(113)27-15-20-36-93-71(115)30-18-23-40-135-90-78(100-59(3)109)85(124)82(121)69(49-106)141-90,54-132-43-35-72(116)94-37-19-14-26-62(111)29-17-22-39-134-89-77(99-58(2)108)84(123)81(120)68(48-105)140-89)101-73(117)31-12-7-5-6-8-13-32-74(118)102-46-65(114)44-60(102)50-136-144(127,128)142-66-45-75(138-70(66)51-137-143(125,126)129-4)103-56-97-79-86(92)95-55-96-87(79)103;1-93-101(89,90)98-45-58-57(42-63(99-58)76-50-73-64-65(68)71-49-72-66(64)76)100-102(91,92)97-44-51-41-56(84)43-75(51)62(88)29-10-5-3-2-4-9-28-61(87)74-67(46-94-38-30-54(82)22-8-6-7-21-52(80)25-13-18-35-77,47-95-39-31-55(83)24-12-17-33-69-59(85)27-15-20-37-79)48-96-40-32-60(86)70-34-16-11-23-53(81)26-14-19-36-78;1-20-23(18,19)21-3-7-6(17)2-8(22-7)16-5-15-9-10(12)13-4-14-11(9)16;1-2/h55-56,60,65-70,75-78,80-85,88-90,104-106,114,119-124H,5-54H2,1-4H3,(H,93,115)(H,94,116)(H,98,107)(H,99,108)(H,100,109)(H,101,117)(H,125,126)(H,127,128)(H2,92,95,96);49-51,56-58,63,77-79,84H,2-48H2,1H3,(H,69,85)(H,70,86)(H,74,87)(H,89,90)(H,91,92)(H2,68,71,72);4-8,17H,2-3H2,1H3,(H,18,19)(H2,12,13,14);2H,1H3/t60-,65+,66-,67?,68?,69?,70+,75+,76?,77?,78?,80-,81-,82-,83+,84+,85+,88+,89+,90+,91?;51-,56+,57-,58+,63+,67?;6-,7+,8+;/m000./s1
• InChIKey: IPKSSYQJHZBWKT-XCSDPOOUSA-N
• XLogP: 4.15
• TPSA: 1388.87 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 80
• Rotatable Bonds: 143
• Heavy Atoms: 271
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3972.16
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	33
H-Bond Acceptors ≤ 10	80

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-3-[[(2S,4R)-1-[10-[[1-[13-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]methyl]-3-[7-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]-4-hydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2S,4R)-4-hydroxy-1-[10-[[1-(13-hydroxy-3,9-dioxotridecoxy)-2-[[3-[(9-hydroxy-5-oxononyl)amino]-3-oxopropoxy]methyl]-3-[7-(5-hydroxypentanoylamino)-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]pyrrolidin-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate;methanol?

The IUPAC name of [(2R,3S,5R)-3-[[(2S,4R)-1-[10-[[1-[13-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]methyl]-3-[7-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]-4-hydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2S,4R)-4-hydroxy-1-[10-[[1-(13-hydroxy-3,9-dioxotridecoxy)-2-[[3-[(9-hydroxy-5-oxononyl)amino]-3-oxopropoxy]methyl]-3-[7-(5-hydroxypentanoylamino)-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]pyrrolidin-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate;methanol (CID 158767352) is [(2R,3S,5R)-3-[[(2S,4R)-1-[10-[[1-[13-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]methyl]-3-[7-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]-4-hydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2S,4R)-4-hydroxy-1-[10-[[1-(13-hydroxy-3,9-dioxotridecoxy)-2-[[3-[(9-hydroxy-5-oxononyl)amino]-3-oxopropoxy]methyl]-3-[7-(5-hydroxypentanoylamino)-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]pyrrolidin-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate;methanol.

What is the SMILES notation for [(2R,3S,5R)-3-[[(2S,4R)-1-[10-[[1-[13-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]methyl]-3-[7-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]-4-hydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2S,4R)-4-hydroxy-1-[10-[[1-(13-hydroxy-3,9-dioxotridecoxy)-2-[[3-[(9-hydroxy-5-oxononyl)amino]-3-oxopropoxy]methyl]-3-[7-(5-hydroxypentanoylamino)-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]pyrrolidin-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate;methanol?

The canonical SMILES for [(2R,3S,5R)-3-[[(2S,4R)-1-[10-[[1-[13-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]methyl]-3-[7-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]-4-hydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2S,4R)-4-hydroxy-1-[10-[[1-(13-hydroxy-3,9-dioxotridecoxy)-2-[[3-[(9-hydroxy-5-oxononyl)amino]-3-oxopropoxy]methyl]-3-[7-(5-hydroxypentanoylamino)-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]pyrrolidin-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate;methanol is CO.COP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O.COP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1OP(=O)(O)OC[C@@H]1C[C@@H](O)CN1C(=O)CCCCCCCCC(=O)NC(COCCC(=O)CCCCCC(=O)CCCCO)(COCCC(=O)CCCCNC(=O)CCCCO)COCCC(=O)NCCCCC(=O)CCCCO.COP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1OP(=O)(O)OC[C@@H]1C[C@@H](O)CN1C(=O)CCCCCCCCC(=O)NC(COCCC(=O)CCCCCC(=O)CCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O)(COCCC(=O)CCCCNC(=O)CCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O)COCCC(=O)NCCCCC(=O)CCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O.

What is the InChIKey of [(2R,3S,5R)-3-[[(2S,4R)-1-[10-[[1-[13-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]methyl]-3-[7-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]-4-hydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2S,4R)-4-hydroxy-1-[10-[[1-(13-hydroxy-3,9-dioxotridecoxy)-2-[[3-[(9-hydroxy-5-oxononyl)amino]-3-oxopropoxy]methyl]-3-[7-(5-hydroxypentanoylamino)-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]pyrrolidin-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate;methanol?

The InChIKey is IPKSSYQJHZBWKT-XCSDPOOUSA-N. The full InChI is InChI=1S/C91H154N12O39P2.C67H115N9O24P2.C11H16N5O6P.CH4O/c1-57(107)98-76-83(122)80(119)67(47-104)139-88(76)133-38-21-16-28-61(110)24-10-9-11-25-63(112)33-41-130-52-91(53-131-42-34-64(113)27-15-20-36-93-71(115)30-18-23-40-135-90-78(100-59(3)109)85(124)82(121)69(49-106)141-90,54-132-43-35-72(116)94-37-19-14-26-62(111)29-17-22-39-134-89-77(99-58(2)108)84(123)81(120)68(48-105)140-89)101-73(117)31-12-7-5-6-8-13-32-74(118)102-46-65(114)44-60(102)50-136-144(127,128)142-66-45-75(138-70(66)51-137-143(125,126)129-4)103-56-97-79-86(92)95-55-96-87(79)103;1-93-101(89,90)98-45-58-57(42-63(99-58)76-50-73-64-65(68)71-49-72-66(64)76)100-102(91,92)97-44-51-41-56(84)43-75(51)62(88)29-10-5-3-2-4-9-28-61(87)74-67(46-94-38-30-54(82)22-8-6-7-21-52(80)25-13-18-35-77,47-95-39-31-55(83)24-12-17-33-69-59(85)27-15-20-37-79)48-96-40-32-60(86)70-34-16-11-23-53(81)26-14-19-36-78;1-20-23(18,19)21-3-7-6(17)2-8(22-7)16-5-15-9-10(12)13-4-14-11(9)16;1-2/h55-56,60,65-70,75-78,80-85,88-90,104-106,114,119-124H,5-54H2,1-4H3,(H,93,115)(H,94,116)(H,98,107)(H,99,108)(H,100,109)(H,101,117)(H,125,126)(H,127,128)(H2,92,95,96);49-51,56-58,63,77-79,84H,2-48H2,1H3,(H,69,85)(H,70,86)(H,74,87)(H,89,90)(H,91,92)(H2,68,71,72);4-8,17H,2-3H2,1H3,(H,18,19)(H2,12,13,14);2H,1H3/t60-,65+,66-,67?,68?,69?,70+,75+,76?,77?,78?,80-,81-,82-,83+,84+,85+,88+,89+,90+,91?;51-,56+,57-,58+,63+,67?;6-,7+,8+;/m000./s1.

What are the key properties of [(2R,3S,5R)-3-[[(2S,4R)-1-[10-[[1-[13-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]methyl]-3-[7-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]-4-hydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2S,4R)-4-hydroxy-1-[10-[[1-(13-hydroxy-3,9-dioxotridecoxy)-2-[[3-[(9-hydroxy-5-oxononyl)amino]-3-oxopropoxy]methyl]-3-[7-(5-hydroxypentanoylamino)-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]pyrrolidin-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate;methanol?

[(2R,3S,5R)-3-[[(2S,4R)-1-[10-[[1-[13-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]methyl]-3-[7-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]-4-hydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2S,4R)-4-hydroxy-1-[10-[[1-(13-hydroxy-3,9-dioxotridecoxy)-2-[[3-[(9-hydroxy-5-oxononyl)amino]-3-oxopropoxy]methyl]-3-[7-(5-hydroxypentanoylamino)-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]pyrrolidin-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate;methanol has a molecular weight of 3972.16 g/mol, XLogP of 4.15, 143 rotatable bonds, 33 hydrogen bond donors, and 80 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,5R)-3-[[(2S,4R)-1-[10-[[1-[13-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]methyl]-3-[7-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]-4-hydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2S,4R)-4-hydroxy-1-[10-[[1-(13-hydroxy-3,9-dioxotridecoxy)-2-[[3-[(9-hydroxy-5-oxononyl)amino]-3-oxopropoxy]methyl]-3-[7-(5-hydroxypentanoylamino)-3-oxoheptoxy]propan-2-yl]amino]-10-oxodecanoyl]pyrrolidin-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate;methanol is sourced from PubChem (CID 158767352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).