3-[2,2-bis[3-[[1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-5-methylhexoxy]propyl [1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl] hydrogen phosphate;N-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecyl]-3-[3-[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]-2-[[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]propanamide;N-[4-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-N'-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propyl]-3-[2-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-2-oxoethyl]-3-(propan-2-ylamino)hexanediamide

C199H373N14O75P3 — CID 163971521

About 3-[2,2-bis[3-[[1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-5-methylhexoxy]propyl [1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl] hydrogen phosphate;N-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecyl]-3-[3-[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]-2-[[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]propanamide;N-[4-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-N'-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propyl]-3-[2-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-2-oxoethyl]-3-(propan-2-ylamino)hexanediamide

3-[2,2-bis[3-[[1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-5-methylhexoxy]propyl [1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl] hydrogen phosphate;N-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecyl]-3-[3-[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]-2-[[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]propanamide;N-[4-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-N'-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propyl]-3-[2-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-2-oxoethyl]-3-(propan-2-ylamino)hexanediamide (PubChem CID 163971521) has the molecular formula C199H373N14O75P3 and a molecular weight of 4255.12 g/mol. Its IUPAC name is 3-[2,2-bis[3-[[1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-5-methylhexoxy]propyl [1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl] hydrogen phosphate;N-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecyl]-3-[3-[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]-2-[[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]propanamide;N-[4-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-N'-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propyl]-3-[2-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-2-oxoethyl]-3-(propan-2-ylamino)hexanediamide.

Molecular Properties

• Compound Name: 3-[2,2-bis[3-[[1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-5-methylhexoxy]propyl [1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl] hydrogen phosphate;N-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecyl]-3-[3-[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]-2-[[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]propanamide;N-[4-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-N'-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propyl]-3-[2-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-2-oxoethyl]-3-(propan-2-ylamino)hexanediamide
• PubChem CID: 163971521
• Molecular Formula: C199H373N14O75P3
• Molecular Weight: 4255.12 g/mol
• Exact Mass: 4252.50
• IUPAC Name: 3-[2,2-bis[3-[[1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-5-methylhexoxy]propyl [1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl] hydrogen phosphate;N-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecyl]-3-[3-[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]-2-[[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]propanamide;N-[4-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-N'-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propyl]-3-[2-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-2-oxoethyl]-3-(propan-2-ylamino)hexanediamide
• SMILES: CC(C)CCC(COCCCOP(=O)(O)OC1CCN(C(=O)CCCCOC2OC(CO)C(O)C(O)C2C)CC1)(COCCCOP(=O)(O)OC1CCN(C(=O)CCCCOC2OC(CO)C(O)C(O)C2C)CC1)COCCCOP(=O)(O)OC1CCN(C(=O)CCCCOC2OC(CO)C(O)C(O)C2C)CC1.CC(C)NC(CCC(=O)NCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1C)(CC(=O)NCCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1C)CC(=O)NCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1C.CC(C)NC(COCCC(=O)NCCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1C)(COCCC(=O)NCCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1C)COCCC(=O)NCCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1C
• InChI: InChI=1S/C73H140N4O21.C69H128N3O33P3.C57H105N7O21/c1-54(2)77-73(51-90-45-36-61(81)74-39-30-24-18-12-6-9-15-21-27-33-42-93-70-55(3)64(84)67(87)58(48-78)96-70,52-91-46-37-62(82)75-40-31-25-19-13-7-10-16-22-28-34-43-94-71-56(4)65(85)68(88)59(49-79)97-71)53-92-47-38-63(83)76-41-32-26-20-14-8-11-17-23-29-35-44-95-72-57(5)66(86)69(89)60(50-80)98-72;1-47(2)18-25-69(44-91-32-12-38-97-106(85,86)103-51-19-26-70(27-20-51)57(76)15-6-9-35-94-66-48(3)60(79)63(82)54(41-73)100-66,45-92-33-13-39-98-107(87,88)104-52-21-28-71(29-22-52)58(77)16-7-10-36-95-67-49(4)61(80)64(83)55(42-74)101-67)46-93-34-14-40-99-108(89,90)105-53-23-30-72(31-24-53)59(78)17-8-11-37-96-68-50(5)62(81)65(84)56(43-75)102-68;1-35(2)64-57(31-47(73)63-26-15-24-60-44(70)18-8-13-29-82-56-38(5)50(76)53(79)41(34-67)85-56,20-19-45(71)61-25-14-23-59-43(69)17-7-12-28-81-55-37(4)49(75)52(78)40(33-66)84-55)30-46(72)62-22-10-9-21-58-42(68)16-6-11-27-80-54-36(3)48(74)51(77)39(32-65)83-54/h54-60,64-72,77-80,84-89H,6-53H2,1-5H3,(H,74,81)(H,75,82)(H,76,83);47-56,60-68,73-75,79-84H,6-46H2,1-5H3,(H,85,86)(H,87,88)(H,89,90);35-41,48-56,64-67,74-79H,6-34H2,1-5H3,(H,58,68)(H,59,69)(H,60,70)(H,61,71)(H,62,72)(H,63,73)
• InChIKey: SQJRGMUHIIHSIE-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 1281.90 Ų
• H-Bond Donors: 41
• H-Bond Acceptors: 74
• Rotatable Bonds: 156
• Heavy Atoms: 291
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4255.12
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	41
H-Bond Acceptors ≤ 10	74

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-bis[3-[[1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-5-methylhexoxy]propyl [1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl] hydrogen phosphate;N-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecyl]-3-[3-[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]-2-[[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]propanamide;N-[4-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-N'-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propyl]-3-[2-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-2-oxoethyl]-3-(propan-2-ylamino)hexanediamide?

The IUPAC name of 3-[2,2-bis[3-[[1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-5-methylhexoxy]propyl [1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl] hydrogen phosphate;N-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecyl]-3-[3-[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]-2-[[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]propanamide;N-[4-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-N'-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propyl]-3-[2-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-2-oxoethyl]-3-(propan-2-ylamino)hexanediamide (CID 163971521) is 3-[2,2-bis[3-[[1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-5-methylhexoxy]propyl [1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl] hydrogen phosphate;N-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecyl]-3-[3-[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]-2-[[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]propanamide;N-[4-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-N'-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propyl]-3-[2-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-2-oxoethyl]-3-(propan-2-ylamino)hexanediamide.

What is the SMILES notation for 3-[2,2-bis[3-[[1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-5-methylhexoxy]propyl [1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl] hydrogen phosphate;N-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecyl]-3-[3-[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]-2-[[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]propanamide;N-[4-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-N'-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propyl]-3-[2-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-2-oxoethyl]-3-(propan-2-ylamino)hexanediamide?

The canonical SMILES for 3-[2,2-bis[3-[[1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-5-methylhexoxy]propyl [1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl] hydrogen phosphate;N-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecyl]-3-[3-[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]-2-[[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]propanamide;N-[4-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-N'-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propyl]-3-[2-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-2-oxoethyl]-3-(propan-2-ylamino)hexanediamide is CC(C)CCC(COCCCOP(=O)(O)OC1CCN(C(=O)CCCCOC2OC(CO)C(O)C(O)C2C)CC1)(COCCCOP(=O)(O)OC1CCN(C(=O)CCCCOC2OC(CO)C(O)C(O)C2C)CC1)COCCCOP(=O)(O)OC1CCN(C(=O)CCCCOC2OC(CO)C(O)C(O)C2C)CC1.CC(C)NC(CCC(=O)NCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1C)(CC(=O)NCCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1C)CC(=O)NCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1C.CC(C)NC(COCCC(=O)NCCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1C)(COCCC(=O)NCCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1C)COCCC(=O)NCCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1C.

What is the InChIKey of 3-[2,2-bis[3-[[1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-5-methylhexoxy]propyl [1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl] hydrogen phosphate;N-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecyl]-3-[3-[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]-2-[[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]propanamide;N-[4-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-N'-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propyl]-3-[2-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-2-oxoethyl]-3-(propan-2-ylamino)hexanediamide?

The InChIKey is SQJRGMUHIIHSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H140N4O21.C69H128N3O33P3.C57H105N7O21/c1-54(2)77-73(51-90-45-36-61(81)74-39-30-24-18-12-6-9-15-21-27-33-42-93-70-55(3)64(84)67(87)58(48-78)96-70,52-91-46-37-62(82)75-40-31-25-19-13-7-10-16-22-28-34-43-94-71-56(4)65(85)68(88)59(49-79)97-71)53-92-47-38-63(83)76-41-32-26-20-14-8-11-17-23-29-35-44-95-72-57(5)66(86)69(89)60(50-80)98-72;1-47(2)18-25-69(44-91-32-12-38-97-106(85,86)103-51-19-26-70(27-20-51)57(76)15-6-9-35-94-66-48(3)60(79)63(82)54(41-73)100-66,45-92-33-13-39-98-107(87,88)104-52-21-28-71(29-22-52)58(77)16-7-10-36-95-67-49(4)61(80)64(83)55(42-74)101-67)46-93-34-14-40-99-108(89,90)105-53-23-30-72(31-24-53)59(78)17-8-11-37-96-68-50(5)62(81)65(84)56(43-75)102-68;1-35(2)64-57(31-47(73)63-26-15-24-60-44(70)18-8-13-29-82-56-38(5)50(76)53(79)41(34-67)85-56,20-19-45(71)61-25-14-23-59-43(69)17-7-12-28-81-55-37(4)49(75)52(78)40(33-66)84-55)30-46(72)62-22-10-9-21-58-42(68)16-6-11-27-80-54-36(3)48(74)51(77)39(32-65)83-54/h54-60,64-72,77-80,84-89H,6-53H2,1-5H3,(H,74,81)(H,75,82)(H,76,83);47-56,60-68,73-75,79-84H,6-46H2,1-5H3,(H,85,86)(H,87,88)(H,89,90);35-41,48-56,64-67,74-79H,6-34H2,1-5H3,(H,58,68)(H,59,69)(H,60,70)(H,61,71)(H,62,72)(H,63,73).

What are the key properties of 3-[2,2-bis[3-[[1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-5-methylhexoxy]propyl [1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl] hydrogen phosphate;N-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecyl]-3-[3-[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]-2-[[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]propanamide;N-[4-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-N'-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propyl]-3-[2-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-2-oxoethyl]-3-(propan-2-ylamino)hexanediamide?

3-[2,2-bis[3-[[1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-5-methylhexoxy]propyl [1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl] hydrogen phosphate;N-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecyl]-3-[3-[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]-2-[[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]propanamide;N-[4-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-N'-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propyl]-3-[2-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-2-oxoethyl]-3-(propan-2-ylamino)hexanediamide has a molecular weight of 4255.12 g/mol, XLogP of 6.39, 156 rotatable bonds, 41 hydrogen bond donors, and 74 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,2-bis[3-[[1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-5-methylhexoxy]propyl [1-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl] hydrogen phosphate;N-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecyl]-3-[3-[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]-2-[[3-[12-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]methyl]-2-(propan-2-ylamino)propoxy]propanamide;N-[4-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-N'-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propyl]-3-[2-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-2-oxoethyl]-3-(propan-2-ylamino)hexanediamide is sourced from PubChem (CID 163971521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).