6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexanoic acid;[5-acetamido-3-acetyloxy-6-[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylamino]-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;[5-acetamido-3-acetyloxy-6-[6-(6-hydroxyhexylamino)-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;6-aminohexan-1-ol;6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;ethane

C106H196N9O36P — CID 158525872

About 6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexanoic acid;[5-acetamido-3-acetyloxy-6-[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylamino]-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;[5-acetamido-3-acetyloxy-6-[6-(6-hydroxyhexylamino)-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;6-aminohexan-1-ol;6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;ethane

6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexanoic acid;[5-acetamido-3-acetyloxy-6-[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylamino]-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;[5-acetamido-3-acetyloxy-6-[6-(6-hydroxyhexylamino)-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;6-aminohexan-1-ol;6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;ethane (PubChem CID 158525872) has the molecular formula C106H196N9O36P and a molecular weight of 2203.73 g/mol. Its IUPAC name is 6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexanoic acid;[5-acetamido-3-acetyloxy-6-[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylamino]-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;[5-acetamido-3-acetyloxy-6-[6-(6-hydroxyhexylamino)-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;6-aminohexan-1-ol;6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;ethane.

Molecular Properties

• Compound Name: 6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexanoic acid;[5-acetamido-3-acetyloxy-6-[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylamino]-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;[5-acetamido-3-acetyloxy-6-[6-(6-hydroxyhexylamino)-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;6-aminohexan-1-ol;6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;ethane
• PubChem CID: 158525872
• Molecular Formula: C106H196N9O36P
• Molecular Weight: 2203.73 g/mol
• Exact Mass: 2202.35
• IUPAC Name: 6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexanoic acid;[5-acetamido-3-acetyloxy-6-[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylamino]-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;[5-acetamido-3-acetyloxy-6-[6-(6-hydroxyhexylamino)-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;6-aminohexan-1-ol;6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;ethane
• SMILES: CC.CC(=O)NC1C(OCCCCCC(=O)NCCCCCCO)OC(COC(C)=O)C(OC(C)=O)C1C.CC(=O)NC1C(OCCCCCC(=O)NCCCCCCOP(OCCC#N)N(C(C)C)C(C)C)OC(COC(C)=O)C(OC(C)=O)C1C.CC(=O)NC1C(OCCCCCC(=O)O)OC(COC(C)=O)C(OC(C)=O)C1C.COCCCCCCNC(=O)CCCCCOC1OC(CO)C(O)C(O)C1C.NCCCCCCO
• InChI: InChI=1S/C34H61N4O10P.C25H44N2O9.C20H39NO7.C19H31NO9.C6H15NO.C2H6/c1-24(2)38(25(3)4)49(46-22-16-18-35)45-21-15-10-9-13-19-36-31(42)17-12-11-14-20-43-34-32(37-27(6)39)26(5)33(47-29(8)41)30(48-34)23-44-28(7)40;1-17-23(27-18(2)29)25(36-21(16-34-19(3)30)24(17)35-20(4)31)33-15-11-7-8-12-22(32)26-13-9-5-6-10-14-28;1-15-18(24)19(25)16(14-22)28-20(15)27-13-9-5-6-10-17(23)21-11-7-3-4-8-12-26-2;1-11-17(20-12(2)21)19(26-9-7-5-6-8-16(24)25)29-15(10-27-13(3)22)18(11)28-14(4)23;7-5-3-1-2-4-6-8;1-2/h24-26,30,32-34H,9-17,19-23H2,1-8H3,(H,36,42)(H,37,39);17,21,23-25,28H,5-16H2,1-4H3,(H,26,32)(H,27,29);15-16,18-20,22,24-25H,3-14H2,1-2H3,(H,21,23);11,15,17-19H,5-10H2,1-4H3,(H,20,21)(H,24,25);8H,1-7H2;1-2H3
• InChIKey: HMTUJAWUZZUCKZ-UHFFFAOYSA-N
• XLogP: 9.98
• TPSA: 625.43 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 73
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2203.73
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexanoic acid;[5-acetamido-3-acetyloxy-6-[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylamino]-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;[5-acetamido-3-acetyloxy-6-[6-(6-hydroxyhexylamino)-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;6-aminohexan-1-ol;6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;ethane?

The IUPAC name of 6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexanoic acid;[5-acetamido-3-acetyloxy-6-[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylamino]-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;[5-acetamido-3-acetyloxy-6-[6-(6-hydroxyhexylamino)-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;6-aminohexan-1-ol;6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;ethane (CID 158525872) is 6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexanoic acid;[5-acetamido-3-acetyloxy-6-[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylamino]-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;[5-acetamido-3-acetyloxy-6-[6-(6-hydroxyhexylamino)-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;6-aminohexan-1-ol;6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;ethane.

What is the SMILES notation for 6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexanoic acid;[5-acetamido-3-acetyloxy-6-[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylamino]-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;[5-acetamido-3-acetyloxy-6-[6-(6-hydroxyhexylamino)-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;6-aminohexan-1-ol;6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;ethane?

The canonical SMILES for 6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexanoic acid;[5-acetamido-3-acetyloxy-6-[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylamino]-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;[5-acetamido-3-acetyloxy-6-[6-(6-hydroxyhexylamino)-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;6-aminohexan-1-ol;6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;ethane is CC.CC(=O)NC1C(OCCCCCC(=O)NCCCCCCO)OC(COC(C)=O)C(OC(C)=O)C1C.CC(=O)NC1C(OCCCCCC(=O)NCCCCCCOP(OCCC#N)N(C(C)C)C(C)C)OC(COC(C)=O)C(OC(C)=O)C1C.CC(=O)NC1C(OCCCCCC(=O)O)OC(COC(C)=O)C(OC(C)=O)C1C.COCCCCCCNC(=O)CCCCCOC1OC(CO)C(O)C(O)C1C.NCCCCCCO.

What is the InChIKey of 6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexanoic acid;[5-acetamido-3-acetyloxy-6-[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylamino]-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;[5-acetamido-3-acetyloxy-6-[6-(6-hydroxyhexylamino)-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;6-aminohexan-1-ol;6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;ethane?

The InChIKey is HMTUJAWUZZUCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H61N4O10P.C25H44N2O9.C20H39NO7.C19H31NO9.C6H15NO.C2H6/c1-24(2)38(25(3)4)49(46-22-16-18-35)45-21-15-10-9-13-19-36-31(42)17-12-11-14-20-43-34-32(37-27(6)39)26(5)33(47-29(8)41)30(48-34)23-44-28(7)40;1-17-23(27-18(2)29)25(36-21(16-34-19(3)30)24(17)35-20(4)31)33-15-11-7-8-12-22(32)26-13-9-5-6-10-14-28;1-15-18(24)19(25)16(14-22)28-20(15)27-13-9-5-6-10-17(23)21-11-7-3-4-8-12-26-2;1-11-17(20-12(2)21)19(26-9-7-5-6-8-16(24)25)29-15(10-27-13(3)22)18(11)28-14(4)23;7-5-3-1-2-4-6-8;1-2/h24-26,30,32-34H,9-17,19-23H2,1-8H3,(H,36,42)(H,37,39);17,21,23-25,28H,5-16H2,1-4H3,(H,26,32)(H,27,29);15-16,18-20,22,24-25H,3-14H2,1-2H3,(H,21,23);11,15,17-19H,5-10H2,1-4H3,(H,20,21)(H,24,25);8H,1-7H2;1-2H3.

What are the key properties of 6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexanoic acid;[5-acetamido-3-acetyloxy-6-[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylamino]-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;[5-acetamido-3-acetyloxy-6-[6-(6-hydroxyhexylamino)-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;6-aminohexan-1-ol;6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;ethane?

6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexanoic acid;[5-acetamido-3-acetyloxy-6-[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylamino]-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;[5-acetamido-3-acetyloxy-6-[6-(6-hydroxyhexylamino)-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;6-aminohexan-1-ol;6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;ethane has a molecular weight of 2203.73 g/mol, XLogP of 9.98, 73 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxyhexanoic acid;[5-acetamido-3-acetyloxy-6-[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylamino]-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;[5-acetamido-3-acetyloxy-6-[6-(6-hydroxyhexylamino)-6-oxohexoxy]-4-methyloxan-2-yl]methyl acetate;6-aminohexan-1-ol;6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;ethane is sourced from PubChem (CID 158525872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).