(34R,37S)-22-(chloromethoxy)-3-diphenylphosphanyl-26,30,34,37-tetrapentyl-5,7,11,13,17,19-hexaoxaoctacyclo[21.13.1.04,35.08,33.010,31.014,29.016,27.020,25]heptatriaconta-1(36),2,4(35),8(33),9,14,16(27),20,22,24,28,31-dodecaen-2-ol

C64H74ClO8P — CID 134952112

About (34R,37S)-22-(chloromethoxy)-3-diphenylphosphanyl-26,30,34,37-tetrapentyl-5,7,11,13,17,19-hexaoxaoctacyclo[21.13.1.04,35.08,33.010,31.014,29.016,27.020,25]heptatriaconta-1(36),2,4(35),8(33),9,14,16(27),20,22,24,28,31-dodecaen-2-ol

(34R,37S)-22-(chloromethoxy)-3-diphenylphosphanyl-26,30,34,37-tetrapentyl-5,7,11,13,17,19-hexaoxaoctacyclo[21.13.1.04,35.08,33.010,31.014,29.016,27.020,25]heptatriaconta-1(36),2,4(35),8(33),9,14,16(27),20,22,24,28,31-dodecaen-2-ol (PubChem CID 134952112) has the molecular formula C64H74ClO8P and a molecular weight of 1037.71 g/mol. Its IUPAC name is (34R,37S)-22-(chloromethoxy)-3-diphenylphosphanyl-26,30,34,37-tetrapentyl-5,7,11,13,17,19-hexaoxaoctacyclo[21.13.1.04,35.08,33.010,31.014,29.016,27.020,25]heptatriaconta-1(36),2,4(35),8(33),9,14,16(27),20,22,24,28,31-dodecaen-2-ol.

Molecular Properties

• Compound Name: (34R,37S)-22-(chloromethoxy)-3-diphenylphosphanyl-26,30,34,37-tetrapentyl-5,7,11,13,17,19-hexaoxaoctacyclo[21.13.1.04,35.08,33.010,31.014,29.016,27.020,25]heptatriaconta-1(36),2,4(35),8(33),9,14,16(27),20,22,24,28,31-dodecaen-2-ol
• PubChem CID: 134952112
• Molecular Formula: C64H74ClO8P
• Molecular Weight: 1037.71 g/mol
• Exact Mass: 1036.48
• IUPAC Name: (34R,37S)-22-(chloromethoxy)-3-diphenylphosphanyl-26,30,34,37-tetrapentyl-5,7,11,13,17,19-hexaoxaoctacyclo[21.13.1.04,35.08,33.010,31.014,29.016,27.020,25]heptatriaconta-1(36),2,4(35),8(33),9,14,16(27),20,22,24,28,31-dodecaen-2-ol
• SMILES: CCCCCC1c2cc3c4cc2OCOc2cc(OCCl)c(cc21)[C@@H](CCCCC)c1cc2c(c(P(c5ccccc5)c5ccccc5)c1O)OCOc1cc(c(cc1[C@H]2CCCCC)C3CCCCC)OCO4
• InChI: InChI=1S/C64H74ClO8P/c1-5-9-15-27-44-48-31-49-45(28-16-10-6-2)51-33-53-47(30-18-12-8-4)55-34-54-46(29-17-11-7-3)52-32-50(44)57(35-56(52)67-38-65)68-39-69-58(48)36-59(49)70-40-71-60(51)37-61(53)72-41-73-63(55)64(62(54)66)74(42-23-19-13-20-24-42)43-25-21-14-22-26-43/h13-14,19-26,31-37,44-47,66H,5-12,15-18,27-30,38-41H2,1-4H3/t44?,45?,46-,47-/m1/s1
• InChIKey: PVICLOIJINHGCP-UKRZRUDYSA-N
• XLogP: 16.07
• TPSA: 84.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.71
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (34R,37S)-22-(chloromethoxy)-3-diphenylphosphanyl-26,30,34,37-tetrapentyl-5,7,11,13,17,19-hexaoxaoctacyclo[21.13.1.04,35.08,33.010,31.014,29.016,27.020,25]heptatriaconta-1(36),2,4(35),8(33),9,14,16(27),20,22,24,28,31-dodecaen-2-ol?

The IUPAC name of (34R,37S)-22-(chloromethoxy)-3-diphenylphosphanyl-26,30,34,37-tetrapentyl-5,7,11,13,17,19-hexaoxaoctacyclo[21.13.1.04,35.08,33.010,31.014,29.016,27.020,25]heptatriaconta-1(36),2,4(35),8(33),9,14,16(27),20,22,24,28,31-dodecaen-2-ol (CID 134952112) is (34R,37S)-22-(chloromethoxy)-3-diphenylphosphanyl-26,30,34,37-tetrapentyl-5,7,11,13,17,19-hexaoxaoctacyclo[21.13.1.04,35.08,33.010,31.014,29.016,27.020,25]heptatriaconta-1(36),2,4(35),8(33),9,14,16(27),20,22,24,28,31-dodecaen-2-ol.

What is the SMILES notation for (34R,37S)-22-(chloromethoxy)-3-diphenylphosphanyl-26,30,34,37-tetrapentyl-5,7,11,13,17,19-hexaoxaoctacyclo[21.13.1.04,35.08,33.010,31.014,29.016,27.020,25]heptatriaconta-1(36),2,4(35),8(33),9,14,16(27),20,22,24,28,31-dodecaen-2-ol?

The canonical SMILES for (34R,37S)-22-(chloromethoxy)-3-diphenylphosphanyl-26,30,34,37-tetrapentyl-5,7,11,13,17,19-hexaoxaoctacyclo[21.13.1.04,35.08,33.010,31.014,29.016,27.020,25]heptatriaconta-1(36),2,4(35),8(33),9,14,16(27),20,22,24,28,31-dodecaen-2-ol is CCCCCC1c2cc3c4cc2OCOc2cc(OCCl)c(cc21)[C@@H](CCCCC)c1cc2c(c(P(c5ccccc5)c5ccccc5)c1O)OCOc1cc(c(cc1[C@H]2CCCCC)C3CCCCC)OCO4.

What is the InChIKey of (34R,37S)-22-(chloromethoxy)-3-diphenylphosphanyl-26,30,34,37-tetrapentyl-5,7,11,13,17,19-hexaoxaoctacyclo[21.13.1.04,35.08,33.010,31.014,29.016,27.020,25]heptatriaconta-1(36),2,4(35),8(33),9,14,16(27),20,22,24,28,31-dodecaen-2-ol?

The InChIKey is PVICLOIJINHGCP-UKRZRUDYSA-N. The full InChI is InChI=1S/C64H74ClO8P/c1-5-9-15-27-44-48-31-49-45(28-16-10-6-2)51-33-53-47(30-18-12-8-4)55-34-54-46(29-17-11-7-3)52-32-50(44)57(35-56(52)67-38-65)68-39-69-58(48)36-59(49)70-40-71-60(51)37-61(53)72-41-73-63(55)64(62(54)66)74(42-23-19-13-20-24-42)43-25-21-14-22-26-43/h13-14,19-26,31-37,44-47,66H,5-12,15-18,27-30,38-41H2,1-4H3/t44?,45?,46-,47-/m1/s1.

What are the key properties of (34R,37S)-22-(chloromethoxy)-3-diphenylphosphanyl-26,30,34,37-tetrapentyl-5,7,11,13,17,19-hexaoxaoctacyclo[21.13.1.04,35.08,33.010,31.014,29.016,27.020,25]heptatriaconta-1(36),2,4(35),8(33),9,14,16(27),20,22,24,28,31-dodecaen-2-ol?

(34R,37S)-22-(chloromethoxy)-3-diphenylphosphanyl-26,30,34,37-tetrapentyl-5,7,11,13,17,19-hexaoxaoctacyclo[21.13.1.04,35.08,33.010,31.014,29.016,27.020,25]heptatriaconta-1(36),2,4(35),8(33),9,14,16(27),20,22,24,28,31-dodecaen-2-ol has a molecular weight of 1037.71 g/mol, XLogP of 16.07, 21 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (34R,37S)-22-(chloromethoxy)-3-diphenylphosphanyl-26,30,34,37-tetrapentyl-5,7,11,13,17,19-hexaoxaoctacyclo[21.13.1.04,35.08,33.010,31.014,29.016,27.020,25]heptatriaconta-1(36),2,4(35),8(33),9,14,16(27),20,22,24,28,31-dodecaen-2-ol is sourced from PubChem (CID 134952112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).