(2R,4R,7E,10S,11R,14R,15S,22R,23R,24S,25R)-7-[(6-amino-2-pyridinyl)methoxyimino]-25-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-2,4,11,15,22,24-hexamethyl-5,9,13,16-tetraoxa-18,21-diazatetracyclo[13.6.2.24,10.018,23]pentacos-1(21)-ene-12,17-dione

C41H64N6O10 — CID 11578678

About (2R,4R,7E,10S,11R,14R,15S,22R,23R,24S,25R)-7-[(6-amino-2-pyridinyl)methoxyimino]-25-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-2,4,11,15,22,24-hexamethyl-5,9,13,16-tetraoxa-18,21-diazatetracyclo[13.6.2.24,10.018,23]pentacos-1(21)-ene-12,17-dione

(2R,4R,7E,10S,11R,14R,15S,22R,23R,24S,25R)-7-[(6-amino-2-pyridinyl)methoxyimino]-25-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-2,4,11,15,22,24-hexamethyl-5,9,13,16-tetraoxa-18,21-diazatetracyclo[13.6.2.24,10.018,23]pentacos-1(21)-ene-12,17-dione (PubChem CID 11578678) has the molecular formula C41H64N6O10 and a molecular weight of 800.99 g/mol. Its IUPAC name is (2R,4R,7E,10S,11R,14R,15S,22R,23R,24S,25R)-7-[(6-amino-2-pyridinyl)methoxyimino]-25-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-2,4,11,15,22,24-hexamethyl-5,9,13,16-tetraoxa-18,21-diazatetracyclo[13.6.2.24,10.018,23]pentacos-1(21)-ene-12,17-dione.

Molecular Properties

• Compound Name: (2R,4R,7E,10S,11R,14R,15S,22R,23R,24S,25R)-7-[(6-amino-2-pyridinyl)methoxyimino]-25-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-2,4,11,15,22,24-hexamethyl-5,9,13,16-tetraoxa-18,21-diazatetracyclo[13.6.2.24,10.018,23]pentacos-1(21)-ene-12,17-dione
• PubChem CID: 11578678
• Molecular Formula: C41H64N6O10
• Molecular Weight: 800.99 g/mol
• Exact Mass: 800.47
• IUPAC Name: (2R,4R,7E,10S,11R,14R,15S,22R,23R,24S,25R)-7-[(6-amino-2-pyridinyl)methoxyimino]-25-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-2,4,11,15,22,24-hexamethyl-5,9,13,16-tetraoxa-18,21-diazatetracyclo[13.6.2.24,10.018,23]pentacos-1(21)-ene-12,17-dione
• SMILES: CC[C@H]1OC(=O)[C@H](C)[C@H]2OC/C(=N\OCc3cccc(N)n3)CO[C@](C)(C[C@@H](C)C3=NCCN4C(=O)O[C@@]1(C)[C@H]4[C@H]3C)[C@H](O[C@H]1O[C@@H](C)C[C@@H](N(C)C)[C@@H]1O)[C@H]2C
• InChI: InChI=1S/C41H64N6O10/c1-11-30-41(8)35-24(4)32(43-15-16-47(35)39(50)57-41)22(2)18-40(7)36(56-38-33(48)29(46(9)10)17-23(3)54-38)25(5)34(26(6)37(49)55-30)51-19-28(20-52-40)45-53-21-27-13-12-14-31(42)44-27/h12-14,22-26,29-30,33-36,38,48H,11,15-21H2,1-10H3,(H2,42,44)/b45-28+/t22-,23+,24+,25+,26-,29-,30-,33+,34+,35-,36-,38-,40-,41-/m1/s1
• InChIKey: DJJWIECBLLHSPY-FMBVELCJSA-N
• XLogP: 3.83
• TPSA: 189.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	800.99
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

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 (2R,4R,7E,10S,11R,14R,15S,22R,23R,24S,25R)-7-[(6-amino-2-pyridinyl)methoxyimino]-25-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-2,4,11,15,22,24-hexamethyl-5,9,13,16-tetraoxa-18,21-diazatetracyclo[13.6.2.24,10.018,23]pentacos-1(21)-ene-12,17-dione?

The IUPAC name of (2R,4R,7E,10S,11R,14R,15S,22R,23R,24S,25R)-7-[(6-amino-2-pyridinyl)methoxyimino]-25-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-2,4,11,15,22,24-hexamethyl-5,9,13,16-tetraoxa-18,21-diazatetracyclo[13.6.2.24,10.018,23]pentacos-1(21)-ene-12,17-dione (CID 11578678) is (2R,4R,7E,10S,11R,14R,15S,22R,23R,24S,25R)-7-[(6-amino-2-pyridinyl)methoxyimino]-25-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-2,4,11,15,22,24-hexamethyl-5,9,13,16-tetraoxa-18,21-diazatetracyclo[13.6.2.24,10.018,23]pentacos-1(21)-ene-12,17-dione.

What is the SMILES notation for (2R,4R,7E,10S,11R,14R,15S,22R,23R,24S,25R)-7-[(6-amino-2-pyridinyl)methoxyimino]-25-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-2,4,11,15,22,24-hexamethyl-5,9,13,16-tetraoxa-18,21-diazatetracyclo[13.6.2.24,10.018,23]pentacos-1(21)-ene-12,17-dione?

The canonical SMILES for (2R,4R,7E,10S,11R,14R,15S,22R,23R,24S,25R)-7-[(6-amino-2-pyridinyl)methoxyimino]-25-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-2,4,11,15,22,24-hexamethyl-5,9,13,16-tetraoxa-18,21-diazatetracyclo[13.6.2.24,10.018,23]pentacos-1(21)-ene-12,17-dione is CC[C@H]1OC(=O)[C@H](C)[C@H]2OC/C(=N\OCc3cccc(N)n3)CO[C@](C)(C[C@@H](C)C3=NCCN4C(=O)O[C@@]1(C)[C@H]4[C@H]3C)[C@H](O[C@H]1O[C@@H](C)C[C@@H](N(C)C)[C@@H]1O)[C@H]2C.

What is the InChIKey of (2R,4R,7E,10S,11R,14R,15S,22R,23R,24S,25R)-7-[(6-amino-2-pyridinyl)methoxyimino]-25-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-2,4,11,15,22,24-hexamethyl-5,9,13,16-tetraoxa-18,21-diazatetracyclo[13.6.2.24,10.018,23]pentacos-1(21)-ene-12,17-dione?

The InChIKey is DJJWIECBLLHSPY-FMBVELCJSA-N. The full InChI is InChI=1S/C41H64N6O10/c1-11-30-41(8)35-24(4)32(43-15-16-47(35)39(50)57-41)22(2)18-40(7)36(56-38-33(48)29(46(9)10)17-23(3)54-38)25(5)34(26(6)37(49)55-30)51-19-28(20-52-40)45-53-21-27-13-12-14-31(42)44-27/h12-14,22-26,29-30,33-36,38,48H,11,15-21H2,1-10H3,(H2,42,44)/b45-28+/t22-,23+,24+,25+,26-,29-,30-,33+,34+,35-,36-,38-,40-,41-/m1/s1.

What are the key properties of (2R,4R,7E,10S,11R,14R,15S,22R,23R,24S,25R)-7-[(6-amino-2-pyridinyl)methoxyimino]-25-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-2,4,11,15,22,24-hexamethyl-5,9,13,16-tetraoxa-18,21-diazatetracyclo[13.6.2.24,10.018,23]pentacos-1(21)-ene-12,17-dione?

(2R,4R,7E,10S,11R,14R,15S,22R,23R,24S,25R)-7-[(6-amino-2-pyridinyl)methoxyimino]-25-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-2,4,11,15,22,24-hexamethyl-5,9,13,16-tetraoxa-18,21-diazatetracyclo[13.6.2.24,10.018,23]pentacos-1(21)-ene-12,17-dione has a molecular weight of 800.99 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R,7E,10S,11R,14R,15S,22R,23R,24S,25R)-7-[(6-amino-2-pyridinyl)methoxyimino]-25-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-2,4,11,15,22,24-hexamethyl-5,9,13,16-tetraoxa-18,21-diazatetracyclo[13.6.2.24,10.018,23]pentacos-1(21)-ene-12,17-dione is sourced from PubChem (CID 11578678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).