(Z)-N-[(3S,10S,13R)-17-[5-[[9-[(2S,4R)-2,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2,9-dioxononyl]-[2-[2-[2-[2-[2-[3-[[7-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-1-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-7-oxoheptan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-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

C123H220N8O38Y — CID 149202941

About (Z)-N-[(3S,10S,13R)-17-[5-[[9-[(2S,4R)-2,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2,9-dioxononyl]-[2-[2-[2-[2-[2-[3-[[7-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-1-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-7-oxoheptan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-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

(Z)-N-[(3S,10S,13R)-17-[5-[[9-[(2S,4R)-2,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2,9-dioxononyl]-[2-[2-[2-[2-[2-[3-[[7-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-1-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-7-oxoheptan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-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 149202941) has the molecular formula C123H220N8O38Y and a molecular weight of 2508.04 g/mol. Its IUPAC name is (Z)-N-[(3S,10S,13R)-17-[5-[[9-[(2S,4R)-2,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2,9-dioxononyl]-[2-[2-[2-[2-[2-[3-[[7-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-1-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-7-oxoheptan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-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: (Z)-N-[(3S,10S,13R)-17-[5-[[9-[(2S,4R)-2,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2,9-dioxononyl]-[2-[2-[2-[2-[2-[3-[[7-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-1-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-7-oxoheptan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-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: 149202941
• Molecular Formula: C123H220N8O38Y
• Molecular Weight: 2508.04 g/mol
• Exact Mass: 2506.46
• IUPAC Name: (Z)-N-[(3S,10S,13R)-17-[5-[[9-[(2S,4R)-2,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2,9-dioxononyl]-[2-[2-[2-[2-[2-[3-[[7-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-1-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-7-oxoheptan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-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: CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CC[C@@]2(C)C(CCC3C4CCC(C(C)CCC(=O)N(CC(=O)CCCCCCC(=O)N5C[C@H](CO)C[C@H]5CO)CC(=O)NCCOCCOCCOCCOCCC(=O)NC(CCCCC(=O)NCCOCCOCCOC5OC(CO)C(O)C(O)C5C)(COCCC(=O)NCCOCCOCCOC5OC(CO)C(O)C(O)C5C)COCCC(=O)NCCOCCOCCOC5OC(CO)C(O)C(O)C5C)[C@@]4(C)CCC32)C1.[Y]
• InChI: InChI=1S/C123H220N8O38.Y/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-31-107(141)128-94-39-45-121(6)93(77-94)34-35-97-99-37-36-98(122(99,7)46-40-100(97)121)88(2)33-38-110(144)130(79-96(137)29-24-22-23-26-32-111(145)131-78-92(81-132)76-95(131)82-133)80-109(143)127-50-57-156-59-64-158-69-68-157-63-58-152-51-43-108(142)129-123(44-28-27-30-104(138)124-47-54-153-60-65-159-70-73-164-118-89(3)112(146)115(149)101(83-134)167-118,86-162-52-41-105(139)125-48-55-154-61-66-160-71-74-165-119-90(4)113(147)116(150)102(84-135)168-119)87-163-53-42-106(140)126-49-56-155-62-67-161-72-75-166-120-91(5)114(148)117(151)103(85-136)169-120;/h15-16,88-95,97-103,112-120,132-136,146-151H,8-14,17-87H2,1-7H3,(H,124,138)(H,125,139)(H,126,140)(H,127,143)(H,128,141)(H,129,142);/b16-15-;/t88?,89?,90?,91?,92-,93?,94+,95+,97?,98?,99?,100?,101?,102?,103?,112?,113?,114?,115?,116?,117?,118?,119?,120?,121+,122-,123?;/m1./s1
• InChIKey: LWBGPIBYJPTTDW-VJMHJJNKSA-N
• XLogP: 6.05
• TPSA: 620.96 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 38
• Rotatable Bonds: 97
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2508.04
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3S,10S,13R)-17-[5-[[9-[(2S,4R)-2,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2,9-dioxononyl]-[2-[2-[2-[2-[2-[3-[[7-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-1-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-7-oxoheptan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-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 (Z)-N-[(3S,10S,13R)-17-[5-[[9-[(2S,4R)-2,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2,9-dioxononyl]-[2-[2-[2-[2-[2-[3-[[7-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-1-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-7-oxoheptan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-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 149202941) is (Z)-N-[(3S,10S,13R)-17-[5-[[9-[(2S,4R)-2,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2,9-dioxononyl]-[2-[2-[2-[2-[2-[3-[[7-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-1-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-7-oxoheptan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-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 (Z)-N-[(3S,10S,13R)-17-[5-[[9-[(2S,4R)-2,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2,9-dioxononyl]-[2-[2-[2-[2-[2-[3-[[7-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-1-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-7-oxoheptan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-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 (Z)-N-[(3S,10S,13R)-17-[5-[[9-[(2S,4R)-2,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2,9-dioxononyl]-[2-[2-[2-[2-[2-[3-[[7-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-1-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-7-oxoheptan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-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 CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CC[C@@]2(C)C(CCC3C4CCC(C(C)CCC(=O)N(CC(=O)CCCCCCC(=O)N5C[C@H](CO)C[C@H]5CO)CC(=O)NCCOCCOCCOCCOCCC(=O)NC(CCCCC(=O)NCCOCCOCCOC5OC(CO)C(O)C(O)C5C)(COCCC(=O)NCCOCCOCCOC5OC(CO)C(O)C(O)C5C)COCCC(=O)NCCOCCOCCOC5OC(CO)C(O)C(O)C5C)[C@@]4(C)CCC32)C1.[Y].

What is the InChIKey of (Z)-N-[(3S,10S,13R)-17-[5-[[9-[(2S,4R)-2,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2,9-dioxononyl]-[2-[2-[2-[2-[2-[3-[[7-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-1-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-7-oxoheptan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-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 LWBGPIBYJPTTDW-VJMHJJNKSA-N. The full InChI is InChI=1S/C123H220N8O38.Y/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-31-107(141)128-94-39-45-121(6)93(77-94)34-35-97-99-37-36-98(122(99,7)46-40-100(97)121)88(2)33-38-110(144)130(79-96(137)29-24-22-23-26-32-111(145)131-78-92(81-132)76-95(131)82-133)80-109(143)127-50-57-156-59-64-158-69-68-157-63-58-152-51-43-108(142)129-123(44-28-27-30-104(138)124-47-54-153-60-65-159-70-73-164-118-89(3)112(146)115(149)101(83-134)167-118,86-162-52-41-105(139)125-48-55-154-61-66-160-71-74-165-119-90(4)113(147)116(150)102(84-135)168-119)87-163-53-42-106(140)126-49-56-155-62-67-161-72-75-166-120-91(5)114(148)117(151)103(85-136)169-120;/h15-16,88-95,97-103,112-120,132-136,146-151H,8-14,17-87H2,1-7H3,(H,124,138)(H,125,139)(H,126,140)(H,127,143)(H,128,141)(H,129,142);/b16-15-;/t88?,89?,90?,91?,92-,93?,94+,95+,97?,98?,99?,100?,101?,102?,103?,112?,113?,114?,115?,116?,117?,118?,119?,120?,121+,122-,123?;/m1./s1.

What are the key properties of (Z)-N-[(3S,10S,13R)-17-[5-[[9-[(2S,4R)-2,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2,9-dioxononyl]-[2-[2-[2-[2-[2-[3-[[7-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-1-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-7-oxoheptan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-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?

(Z)-N-[(3S,10S,13R)-17-[5-[[9-[(2S,4R)-2,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2,9-dioxononyl]-[2-[2-[2-[2-[2-[3-[[7-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-1-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-7-oxoheptan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-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 2508.04 g/mol, XLogP of 6.05, 97 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[(3S,10S,13R)-17-[5-[[9-[(2S,4R)-2,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2,9-dioxononyl]-[2-[2-[2-[2-[2-[3-[[7-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-1-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-7-oxoheptan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-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 149202941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).