(1R,11S,14R,15E,17R,18R,20R,22S,23E,25E,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-11-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,9]pentatriaconta-15,23,25,27-tetraene-2,3,13,19-tetrone

C51H79N5O11 — CID 173466074

About (1R,11S,14R,15E,17R,18R,20R,22S,23E,25E,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-11-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,9]pentatriaconta-15,23,25,27-tetraene-2,3,13,19-tetrone

(1R,11S,14R,15E,17R,18R,20R,22S,23E,25E,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-11-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,9]pentatriaconta-15,23,25,27-tetraene-2,3,13,19-tetrone (PubChem CID 173466074) has the molecular formula C51H79N5O11 and a molecular weight of 938.22 g/mol. Its IUPAC name is (1R,11S,14R,15E,17R,18R,20R,22S,23E,25E,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-11-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,9]pentatriaconta-15,23,25,27-tetraene-2,3,13,19-tetrone.

Molecular Properties

• Compound Name: (1R,11S,14R,15E,17R,18R,20R,22S,23E,25E,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-11-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,9]pentatriaconta-15,23,25,27-tetraene-2,3,13,19-tetrone
• PubChem CID: 173466074
• Molecular Formula: C51H79N5O11
• Molecular Weight: 938.22 g/mol
• Exact Mass: 937.58
• IUPAC Name: (1R,11S,14R,15E,17R,18R,20R,22S,23E,25E,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-11-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,9]pentatriaconta-15,23,25,27-tetraene-2,3,13,19-tetrone
• SMILES: CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCCC2O[C@H]([C@H](C)C[C@@H]2CC[C@H](n3ncnn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C\C=C/C=C1C
• InChI: InChI=1S/C51H79N5O11/c1-31-16-12-11-13-17-32(2)42(63-8)28-39-21-19-37(7)51(62,67-39)49(60)50(61)55-23-15-14-18-45(55)66-43(34(4)26-38-20-22-40(44(27-38)64-9)56-53-30-52-54-56)29-41(57)33(3)25-36(6)47(59)48(65-10)46(58)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-40,42-45,47-48,59,62H,14-15,18-24,26-29H2,1-10H3/b13-11-,16-12-,32-17?,36-25-/t31-,33-,34-,35-,37-,38+,39+,40+,42+,43+,44-,45?,47-,48+,51-/m1/s1
• InChIKey: QUWDEYOTFKKHHV-MMIYFDJZSA-N
• XLogP: 6.48
• TPSA: 201.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	938.22
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,11S,14R,15E,17R,18R,20R,22S,23E,25E,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-11-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,9]pentatriaconta-15,23,25,27-tetraene-2,3,13,19-tetrone?

The IUPAC name of (1R,11S,14R,15E,17R,18R,20R,22S,23E,25E,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-11-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,9]pentatriaconta-15,23,25,27-tetraene-2,3,13,19-tetrone (CID 173466074) is (1R,11S,14R,15E,17R,18R,20R,22S,23E,25E,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-11-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,9]pentatriaconta-15,23,25,27-tetraene-2,3,13,19-tetrone.

What is the SMILES notation for (1R,11S,14R,15E,17R,18R,20R,22S,23E,25E,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-11-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,9]pentatriaconta-15,23,25,27-tetraene-2,3,13,19-tetrone?

The canonical SMILES for (1R,11S,14R,15E,17R,18R,20R,22S,23E,25E,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-11-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,9]pentatriaconta-15,23,25,27-tetraene-2,3,13,19-tetrone is CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCCC2O[C@H]([C@H](C)C[C@@H]2CC[C@H](n3ncnn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C\C=C/C=C1C.

What is the InChIKey of (1R,11S,14R,15E,17R,18R,20R,22S,23E,25E,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-11-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,9]pentatriaconta-15,23,25,27-tetraene-2,3,13,19-tetrone?

The InChIKey is QUWDEYOTFKKHHV-MMIYFDJZSA-N. The full InChI is InChI=1S/C51H79N5O11/c1-31-16-12-11-13-17-32(2)42(63-8)28-39-21-19-37(7)51(62,67-39)49(60)50(61)55-23-15-14-18-45(55)66-43(34(4)26-38-20-22-40(44(27-38)64-9)56-53-30-52-54-56)29-41(57)33(3)25-36(6)47(59)48(65-10)46(58)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-40,42-45,47-48,59,62H,14-15,18-24,26-29H2,1-10H3/b13-11-,16-12-,32-17?,36-25-/t31-,33-,34-,35-,37-,38+,39+,40+,42+,43+,44-,45?,47-,48+,51-/m1/s1.

What are the key properties of (1R,11S,14R,15E,17R,18R,20R,22S,23E,25E,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-11-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,9]pentatriaconta-15,23,25,27-tetraene-2,3,13,19-tetrone?

(1R,11S,14R,15E,17R,18R,20R,22S,23E,25E,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-11-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,9]pentatriaconta-15,23,25,27-tetraene-2,3,13,19-tetrone has a molecular weight of 938.22 g/mol, XLogP of 6.48, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,11S,14R,15E,17R,18R,20R,22S,23E,25E,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-11-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,9]pentatriaconta-15,23,25,27-tetraene-2,3,13,19-tetrone is sourced from PubChem (CID 173466074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).