N-[1-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanamide;(Z)-N-[(10S,13R,17R)-17-[(2R)-5-[[9-[(2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-2,9-dioxononyl]-(2-oxoethyl)amino]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadec-9-enamide;yttrium

C126H226N10O41Y — CID 165079735

About N-[1-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanamide;(Z)-N-[(10S,13R,17R)-17-[(2R)-5-[[9-[(2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-2,9-dioxononyl]-(2-oxoethyl)amino]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadec-9-enamide;yttrium

N-[1-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanamide;(Z)-N-[(10S,13R,17R)-17-[(2R)-5-[[9-[(2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-2,9-dioxononyl]-(2-oxoethyl)amino]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadec-9-enamide;yttrium (PubChem CID 165079735) has the molecular formula C126H226N10O41Y and a molecular weight of 2626.13 g/mol. Its IUPAC name is N-[1-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanamide;(Z)-N-[(10S,13R,17R)-17-[(2R)-5-[[9-[(2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-2,9-dioxononyl]-(2-oxoethyl)amino]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadec-9-enamide;yttrium.

Molecular Properties

• Compound Name: N-[1-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanamide;(Z)-N-[(10S,13R,17R)-17-[(2R)-5-[[9-[(2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-2,9-dioxononyl]-(2-oxoethyl)amino]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadec-9-enamide;yttrium
• PubChem CID: 165079735
• Molecular Formula: C126H226N10O41Y
• Molecular Weight: 2626.13 g/mol
• Exact Mass: 2624.50
• IUPAC Name: N-[1-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanamide;(Z)-N-[(10S,13R,17R)-17-[(2R)-5-[[9-[(2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-2,9-dioxononyl]-(2-oxoethyl)amino]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadec-9-enamide;yttrium
• SMILES: CC(=O)NC1C(OCCOCCOCCNCCCOCC(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2NC(C)=O)(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2NC(C)=O)NC(=O)CCOCCOCCOCCOCCN)OC(CO)C(O)C1O.CCCCCCCC/C=C\CCCCCCCC(=O)NC1CC[C@@]2(C)C(CCC3C2CC[C@@]2(C)C3CC[C@@H]2[C@H](C)CCC(=O)N(CC=O)CC(=O)CCCCCCC(=O)C2C[C@H](CO)C[C@H]2CO)C1.[Y]
• InChI: InChI=1S/C66H124N8O34.C60H102N2O7.Y/c1-45(78)71-54-60(87)57(84)48(39-75)106-63(54)103-36-33-97-28-23-92-18-10-68-9-4-13-100-42-66(74-53(83)7-14-90-21-26-95-31-32-96-27-22-91-17-8-67,43-101-15-5-51(81)69-11-19-93-24-29-98-34-37-104-64-55(72-46(2)79)61(88)58(85)49(40-76)107-64)44-102-16-6-52(82)70-12-20-94-25-30-99-35-38-105-65-56(73-47(3)80)62(89)59(86)50(41-77)108-65;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-57(68)61-49-33-35-59(3)48(41-49)28-29-51-54-31-30-53(60(54,4)36-34-55(51)59)45(2)27-32-58(69)62(37-38-63)42-50(66)24-21-19-20-22-25-56(67)52-40-46(43-64)39-47(52)44-65;/h48-50,54-65,68,75-77,84-89H,4-44,67H2,1-3H3,(H,69,81)(H,70,82)(H,71,78)(H,72,79)(H,73,80)(H,74,83);12-13,38,45-49,51-55,64-65H,5-11,14-37,39-44H2,1-4H3,(H,61,68);/b;13-12-;/t;45-,46-,47+,48?,49?,51?,52?,53-,54?,55?,59+,60-;/m.1./s1
• InChIKey: PZLNFSZRCPDQHO-XSJIMARDSA-N
• XLogP: 2.99
• TPSA: 711.17 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 43
• Rotatable Bonds: 101
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2626.13
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanamide;(Z)-N-[(10S,13R,17R)-17-[(2R)-5-[[9-[(2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-2,9-dioxononyl]-(2-oxoethyl)amino]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadec-9-enamide;yttrium?

The IUPAC name of N-[1-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanamide;(Z)-N-[(10S,13R,17R)-17-[(2R)-5-[[9-[(2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-2,9-dioxononyl]-(2-oxoethyl)amino]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadec-9-enamide;yttrium (CID 165079735) is N-[1-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanamide;(Z)-N-[(10S,13R,17R)-17-[(2R)-5-[[9-[(2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-2,9-dioxononyl]-(2-oxoethyl)amino]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadec-9-enamide;yttrium.

What is the SMILES notation for N-[1-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanamide;(Z)-N-[(10S,13R,17R)-17-[(2R)-5-[[9-[(2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-2,9-dioxononyl]-(2-oxoethyl)amino]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadec-9-enamide;yttrium?

The canonical SMILES for N-[1-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanamide;(Z)-N-[(10S,13R,17R)-17-[(2R)-5-[[9-[(2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-2,9-dioxononyl]-(2-oxoethyl)amino]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadec-9-enamide;yttrium is CC(=O)NC1C(OCCOCCOCCNCCCOCC(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2NC(C)=O)(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2NC(C)=O)NC(=O)CCOCCOCCOCCOCCN)OC(CO)C(O)C1O.CCCCCCCC/C=C\CCCCCCCC(=O)NC1CC[C@@]2(C)C(CCC3C2CC[C@@]2(C)C3CC[C@@H]2[C@H](C)CCC(=O)N(CC=O)CC(=O)CCCCCCC(=O)C2C[C@H](CO)C[C@H]2CO)C1.[Y].

What is the InChIKey of N-[1-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanamide;(Z)-N-[(10S,13R,17R)-17-[(2R)-5-[[9-[(2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-2,9-dioxononyl]-(2-oxoethyl)amino]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadec-9-enamide;yttrium?

The InChIKey is PZLNFSZRCPDQHO-XSJIMARDSA-N. The full InChI is InChI=1S/C66H124N8O34.C60H102N2O7.Y/c1-45(78)71-54-60(87)57(84)48(39-75)106-63(54)103-36-33-97-28-23-92-18-10-68-9-4-13-100-42-66(74-53(83)7-14-90-21-26-95-31-32-96-27-22-91-17-8-67,43-101-15-5-51(81)69-11-19-93-24-29-98-34-37-104-64-55(72-46(2)79)61(88)58(85)49(40-76)107-64)44-102-16-6-52(82)70-12-20-94-25-30-99-35-38-105-65-56(73-47(3)80)62(89)59(86)50(41-77)108-65;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-57(68)61-49-33-35-59(3)48(41-49)28-29-51-54-31-30-53(60(54,4)36-34-55(51)59)45(2)27-32-58(69)62(37-38-63)42-50(66)24-21-19-20-22-25-56(67)52-40-46(43-64)39-47(52)44-65;/h48-50,54-65,68,75-77,84-89H,4-44,67H2,1-3H3,(H,69,81)(H,70,82)(H,71,78)(H,72,79)(H,73,80)(H,74,83);12-13,38,45-49,51-55,64-65H,5-11,14-37,39-44H2,1-4H3,(H,61,68);/b;13-12-;/t;45-,46-,47+,48?,49?,51?,52?,53-,54?,55?,59+,60-;/m.1./s1.

What are the key properties of N-[1-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanamide;(Z)-N-[(10S,13R,17R)-17-[(2R)-5-[[9-[(2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-2,9-dioxononyl]-(2-oxoethyl)amino]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadec-9-enamide;yttrium?

N-[1-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanamide;(Z)-N-[(10S,13R,17R)-17-[(2R)-5-[[9-[(2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-2,9-dioxononyl]-(2-oxoethyl)amino]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadec-9-enamide;yttrium has a molecular weight of 2626.13 g/mol, XLogP of 2.99, 101 rotatable bonds, 20 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanamide;(Z)-N-[(10S,13R,17R)-17-[(2R)-5-[[9-[(2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-2,9-dioxononyl]-(2-oxoethyl)amino]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadec-9-enamide;yttrium is sourced from PubChem (CID 165079735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).