[(1R,3R,5S,6R,8S,10S,11S,13S,15S,16S,18R,20R,21R,23R,25S,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40S,41S,42R,43S,44S,45R,46S,47R,48S,49R)-10-(diphenylphosphanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]methyl-diphenylphosphane

C85H126O33P2 — CID 135682951

About [(1R,3R,5S,6R,8S,10S,11S,13S,15S,16S,18R,20R,21R,23R,25S,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40S,41S,42R,43S,44S,45R,46S,47R,48S,49R)-10-(diphenylphosphanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]methyl-diphenylphosphane

[(1R,3R,5S,6R,8S,10S,11S,13S,15S,16S,18R,20R,21R,23R,25S,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40S,41S,42R,43S,44S,45R,46S,47R,48S,49R)-10-(diphenylphosphanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]methyl-diphenylphosphane (PubChem CID 135682951) has the molecular formula C85H126O33P2 and a molecular weight of 1737.86 g/mol. Its IUPAC name is [(1R,3R,5S,6R,8S,10S,11S,13S,15S,16S,18R,20R,21R,23R,25S,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40S,41S,42R,43S,44S,45R,46S,47R,48S,49R)-10-(diphenylphosphanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]methyl-diphenylphosphane.

Molecular Properties

• Compound Name: [(1R,3R,5S,6R,8S,10S,11S,13S,15S,16S,18R,20R,21R,23R,25S,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40S,41S,42R,43S,44S,45R,46S,47R,48S,49R)-10-(diphenylphosphanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]methyl-diphenylphosphane
• PubChem CID: 135682951
• Molecular Formula: C85H126O33P2
• Molecular Weight: 1737.86 g/mol
• Exact Mass: 1736.77
• IUPAC Name: [(1R,3R,5S,6R,8S,10S,11S,13S,15S,16S,18R,20R,21R,23R,25S,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40S,41S,42R,43S,44S,45R,46S,47R,48S,49R)-10-(diphenylphosphanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]methyl-diphenylphosphane
• SMILES: COC[C@@H]1O[C@@H]2O[C@H]3[C@@H](OC)[C@H](OC)[C@@H](O[C@H]4[C@H](OC)[C@@H](OC)[C@@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@@H](OC)[C@@H](O[C@H]7[C@H](OC)[C@@H](OC)[C@@H](O[C@H]8[C@H](OC)[C@@H](OC)[C@@H](O[C@H]1[C@H](OC)[C@@H]2OC)O[C@H]8COC)O[C@H]7COC)O[C@H]6COC)O[C@@H]5CP(c1ccccc1)c1ccccc1)O[C@@H]4CP(c1ccccc1)c1ccccc1)O[C@@H]3COC
• InChI: InChI=1S/C85H126O33P2/c1-86-40-51-58-65(91-6)72(98-13)79(105-51)113-59-52(41-87-2)107-81(74(100-15)66(59)92-7)115-61-54(43-89-4)109-83(76(102-17)68(61)94-9)117-63-56(45-119(47-32-24-20-25-33-47)48-34-26-21-27-35-48)111-85(78(104-19)70(63)96-11)118-64-57(46-120(49-36-28-22-29-37-49)50-38-30-23-31-39-50)110-84(77(103-18)71(64)97-12)116-62-55(44-90-5)108-82(75(101-16)69(62)95-10)114-60-53(42-88-3)106-80(112-58)73(99-14)67(60)93-8/h20-39,51-85H,40-46H2,1-19H3/t51-,52-,53-,54+,55-,56+,57+,58+,59+,60+,61+,62+,63+,64+,65-,66-,67-,68+,69-,70-,71-,72+,73+,74-,75+,76-,77+,78+,79+,80+,81+,82+,83+,84+,85+/m0/s1
• InChIKey: CFBWEGZCUJMJAY-HTXXEWQISA-N
• XLogP: 3.48
• TPSA: 304.59 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1737.86
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,5S,6R,8S,10S,11S,13S,15S,16S,18R,20R,21R,23R,25S,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40S,41S,42R,43S,44S,45R,46S,47R,48S,49R)-10-(diphenylphosphanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]methyl-diphenylphosphane?

The IUPAC name of [(1R,3R,5S,6R,8S,10S,11S,13S,15S,16S,18R,20R,21R,23R,25S,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40S,41S,42R,43S,44S,45R,46S,47R,48S,49R)-10-(diphenylphosphanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]methyl-diphenylphosphane (CID 135682951) is [(1R,3R,5S,6R,8S,10S,11S,13S,15S,16S,18R,20R,21R,23R,25S,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40S,41S,42R,43S,44S,45R,46S,47R,48S,49R)-10-(diphenylphosphanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]methyl-diphenylphosphane.

What is the SMILES notation for [(1R,3R,5S,6R,8S,10S,11S,13S,15S,16S,18R,20R,21R,23R,25S,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40S,41S,42R,43S,44S,45R,46S,47R,48S,49R)-10-(diphenylphosphanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]methyl-diphenylphosphane?

The canonical SMILES for [(1R,3R,5S,6R,8S,10S,11S,13S,15S,16S,18R,20R,21R,23R,25S,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40S,41S,42R,43S,44S,45R,46S,47R,48S,49R)-10-(diphenylphosphanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]methyl-diphenylphosphane is COC[C@@H]1O[C@@H]2O[C@H]3[C@@H](OC)[C@H](OC)[C@@H](O[C@H]4[C@H](OC)[C@@H](OC)[C@@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@@H](OC)[C@@H](O[C@H]7[C@H](OC)[C@@H](OC)[C@@H](O[C@H]8[C@H](OC)[C@@H](OC)[C@@H](O[C@H]1[C@H](OC)[C@@H]2OC)O[C@H]8COC)O[C@H]7COC)O[C@H]6COC)O[C@@H]5CP(c1ccccc1)c1ccccc1)O[C@@H]4CP(c1ccccc1)c1ccccc1)O[C@@H]3COC.

What is the InChIKey of [(1R,3R,5S,6R,8S,10S,11S,13S,15S,16S,18R,20R,21R,23R,25S,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40S,41S,42R,43S,44S,45R,46S,47R,48S,49R)-10-(diphenylphosphanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]methyl-diphenylphosphane?

The InChIKey is CFBWEGZCUJMJAY-HTXXEWQISA-N. The full InChI is InChI=1S/C85H126O33P2/c1-86-40-51-58-65(91-6)72(98-13)79(105-51)113-59-52(41-87-2)107-81(74(100-15)66(59)92-7)115-61-54(43-89-4)109-83(76(102-17)68(61)94-9)117-63-56(45-119(47-32-24-20-25-33-47)48-34-26-21-27-35-48)111-85(78(104-19)70(63)96-11)118-64-57(46-120(49-36-28-22-29-37-49)50-38-30-23-31-39-50)110-84(77(103-18)71(64)97-12)116-62-55(44-90-5)108-82(75(101-16)69(62)95-10)114-60-53(42-88-3)106-80(112-58)73(99-14)67(60)93-8/h20-39,51-85H,40-46H2,1-19H3/t51-,52-,53-,54+,55-,56+,57+,58+,59+,60+,61+,62+,63+,64+,65-,66-,67-,68+,69-,70-,71-,72+,73+,74-,75+,76-,77+,78+,79+,80+,81+,82+,83+,84+,85+/m0/s1.

What are the key properties of [(1R,3R,5S,6R,8S,10S,11S,13S,15S,16S,18R,20R,21R,23R,25S,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40S,41S,42R,43S,44S,45R,46S,47R,48S,49R)-10-(diphenylphosphanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]methyl-diphenylphosphane?

[(1R,3R,5S,6R,8S,10S,11S,13S,15S,16S,18R,20R,21R,23R,25S,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40S,41S,42R,43S,44S,45R,46S,47R,48S,49R)-10-(diphenylphosphanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]methyl-diphenylphosphane has a molecular weight of 1737.86 g/mol, XLogP of 3.48, 32 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3R,5S,6R,8S,10S,11S,13S,15S,16S,18R,20R,21R,23R,25S,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40S,41S,42R,43S,44S,45R,46S,47R,48S,49R)-10-(diphenylphosphanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]methyl-diphenylphosphane is sourced from PubChem (CID 135682951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).