(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5R,6S)-5-hydroxy-5-methanidyl-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;ethanamine;yttrium

C41H76N2O13Y-2 — CID 59070471

About (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5R,6S)-5-hydroxy-5-methanidyl-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;ethanamine;yttrium

(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5R,6S)-5-hydroxy-5-methanidyl-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;ethanamine;yttrium (PubChem CID 59070471) has the molecular formula C41H76N2O13Y-2 and a molecular weight of 893.97 g/mol. Its IUPAC name is (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5R,6S)-5-hydroxy-5-methanidyl-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;ethanamine;yttrium.

Molecular Properties

• Compound Name: (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5R,6S)-5-hydroxy-5-methanidyl-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;ethanamine;yttrium
• PubChem CID: 59070471
• Molecular Formula: C41H76N2O13Y-2
• Molecular Weight: 893.97 g/mol
• Exact Mass: 893.44
• IUPAC Name: (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5R,6S)-5-hydroxy-5-methanidyl-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;ethanamine;yttrium
• SMILES: [CH2-]CN.[CH2-][C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC.[Y]
• InChI: InChI=1S/C39H70NO13.C2H6N.Y/c1-16-27-38(10,45)32(43)22(4)29(41)20(2)18-36(8,47-14)33(53-35-30(42)26(40(12)13)17-21(3)49-35)23(5)31(24(6)34(44)51-27)52-28-19-37(9,48-15)39(11,46)25(7)50-28;1-2-3;/h20-28,30-33,35,42-43,45-46H,11,16-19H2,1-10,12-15H3;1-3H2;/q2*-1;/t20-,21-,22+,23+,24-,25+,26+,27-,28+,30-,31+,32-,33-,35+,36+,37-,38-,39-;;/m1../s1
• InChIKey: FSSJLSHVRWKOEC-IXLNEEECSA-N
• XLogP: 2.42
• TPSA: 208.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.97
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5R,6S)-5-hydroxy-5-methanidyl-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;ethanamine;yttrium?

The IUPAC name of (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5R,6S)-5-hydroxy-5-methanidyl-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;ethanamine;yttrium (CID 59070471) is (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5R,6S)-5-hydroxy-5-methanidyl-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;ethanamine;yttrium.

What is the SMILES notation for (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5R,6S)-5-hydroxy-5-methanidyl-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;ethanamine;yttrium?

The canonical SMILES for (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5R,6S)-5-hydroxy-5-methanidyl-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;ethanamine;yttrium is [CH2-]CN.[CH2-][C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC.[Y].

What is the InChIKey of (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5R,6S)-5-hydroxy-5-methanidyl-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;ethanamine;yttrium?

The InChIKey is FSSJLSHVRWKOEC-IXLNEEECSA-N. The full InChI is InChI=1S/C39H70NO13.C2H6N.Y/c1-16-27-38(10,45)32(43)22(4)29(41)20(2)18-36(8,47-14)33(53-35-30(42)26(40(12)13)17-21(3)49-35)23(5)31(24(6)34(44)51-27)52-28-19-37(9,48-15)39(11,46)25(7)50-28;1-2-3;/h20-28,30-33,35,42-43,45-46H,11,16-19H2,1-10,12-15H3;1-3H2;/q2*-1;/t20-,21-,22+,23+,24-,25+,26+,27-,28+,30-,31+,32-,33-,35+,36+,37-,38-,39-;;/m1../s1.

What are the key properties of (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5R,6S)-5-hydroxy-5-methanidyl-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;ethanamine;yttrium?

(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5R,6S)-5-hydroxy-5-methanidyl-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;ethanamine;yttrium has a molecular weight of 893.97 g/mol, XLogP of 2.42, 8 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5R,6S)-5-hydroxy-5-methanidyl-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;ethanamine;yttrium is sourced from PubChem (CID 59070471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).