(3R,4S,5R,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,7,9,11,13-heptamethyl-10-piperidin-3-yloxyimino-oxacyclotetradecan-2-one

C35H64N2O10 — CID 59154619

About (3R,4S,5R,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,7,9,11,13-heptamethyl-10-piperidin-3-yloxyimino-oxacyclotetradecan-2-one

(3R,4S,5R,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,7,9,11,13-heptamethyl-10-piperidin-3-yloxyimino-oxacyclotetradecan-2-one (PubChem CID 59154619) has the molecular formula C35H64N2O10 and a molecular weight of 672.90 g/mol. Its IUPAC name is (3R,4S,5R,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,7,9,11,13-heptamethyl-10-piperidin-3-yloxyimino-oxacyclotetradecan-2-one.

Molecular Properties

• Compound Name: (3R,4S,5R,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,7,9,11,13-heptamethyl-10-piperidin-3-yloxyimino-oxacyclotetradecan-2-one
• PubChem CID: 59154619
• Molecular Formula: C35H64N2O10
• Molecular Weight: 672.90 g/mol
• Exact Mass: 672.46
• IUPAC Name: (3R,4S,5R,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,7,9,11,13-heptamethyl-10-piperidin-3-yloxyimino-oxacyclotetradecan-2-one
• SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](C)[C@](C)(O)C[C@@H](C)/C(=N\OC2CCCNC2)[C@H](C)[C@@H](O)[C@]1(C)O
• InChI: InChI=1S/C35H64N2O10/c1-12-26-35(10,42)30(38)21(4)28(37-47-25-14-13-15-36-18-25)19(2)16-33(8,41)23(6)20(3)29(22(5)32(40)45-26)46-27-17-34(9,43-11)31(39)24(7)44-27/h19-27,29-31,36,38-39,41-42H,12-18H2,1-11H3/b37-28+/t19-,20-,21+,22-,23-,24+,25?,26-,27+,29+,30-,31+,33-,34-,35-/m1/s1
• InChIKey: OJOUAHSSSHNQSZ-BOWQBBGMSA-N
• XLogP: 3.17
• TPSA: 168.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.90
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,7,9,11,13-heptamethyl-10-piperidin-3-yloxyimino-oxacyclotetradecan-2-one?

The IUPAC name of (3R,4S,5R,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,7,9,11,13-heptamethyl-10-piperidin-3-yloxyimino-oxacyclotetradecan-2-one (CID 59154619) is (3R,4S,5R,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,7,9,11,13-heptamethyl-10-piperidin-3-yloxyimino-oxacyclotetradecan-2-one.

What is the SMILES notation for (3R,4S,5R,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,7,9,11,13-heptamethyl-10-piperidin-3-yloxyimino-oxacyclotetradecan-2-one?

The canonical SMILES for (3R,4S,5R,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,7,9,11,13-heptamethyl-10-piperidin-3-yloxyimino-oxacyclotetradecan-2-one is CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](C)[C@](C)(O)C[C@@H](C)/C(=N\OC2CCCNC2)[C@H](C)[C@@H](O)[C@]1(C)O.

What is the InChIKey of (3R,4S,5R,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,7,9,11,13-heptamethyl-10-piperidin-3-yloxyimino-oxacyclotetradecan-2-one?

The InChIKey is OJOUAHSSSHNQSZ-BOWQBBGMSA-N. The full InChI is InChI=1S/C35H64N2O10/c1-12-26-35(10,42)30(38)21(4)28(37-47-25-14-13-15-36-18-25)19(2)16-33(8,41)23(6)20(3)29(22(5)32(40)45-26)46-27-17-34(9,43-11)31(39)24(7)44-27/h19-27,29-31,36,38-39,41-42H,12-18H2,1-11H3/b37-28+/t19-,20-,21+,22-,23-,24+,25?,26-,27+,29+,30-,31+,33-,34-,35-/m1/s1.

What are the key properties of (3R,4S,5R,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,7,9,11,13-heptamethyl-10-piperidin-3-yloxyimino-oxacyclotetradecan-2-one?

(3R,4S,5R,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,7,9,11,13-heptamethyl-10-piperidin-3-yloxyimino-oxacyclotetradecan-2-one has a molecular weight of 672.90 g/mol, XLogP of 3.17, 6 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5R,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,7,9,11,13-heptamethyl-10-piperidin-3-yloxyimino-oxacyclotetradecan-2-one is sourced from PubChem (CID 59154619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).