(1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol

C42H66O33 — CID 10748706

About (1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol

(1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol (PubChem CID 10748706) has the molecular formula C42H66O33 and a molecular weight of 1098.96 g/mol. Its IUPAC name is (1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol.

Molecular Properties

• Compound Name: (1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol
• PubChem CID: 10748706
• Molecular Formula: C42H66O33
• Molecular Weight: 1098.96 g/mol
• Exact Mass: 1098.35
• IUPAC Name: (1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol
• SMILES: OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@@H]5O[C@@H]5[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@@H]8O[C@@H]8[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO
• InChI: InChI=1S/C42H66O33/c43-1-8-25-15(50)20(55)36(60-8)70-26-9(2-44)63-39(23(58)16(26)51)74-30-13(6-48)66-42(35-32(30)67-35)73-29-12(5-47)62-38(22(57)19(29)54)71-27-10(3-45)64-40(24(59)17(27)52)75-31-14(7-49)65-41(34-33(31)68-34)72-28-11(4-46)61-37(69-25)21(56)18(28)53/h8-59H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-/m1/s1
• InChIKey: FFMMKXOFFGAIHE-MSIPVABCSA-N
• XLogP: -13.14
• TPSA: 498.19 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 33
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1098.96
LogP ≤ 5	-13.14
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol?

The IUPAC name of (1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol (CID 10748706) is (1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol.

What is the SMILES notation for (1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol?

The canonical SMILES for (1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol is OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@@H]5O[C@@H]5[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@@H]8O[C@@H]8[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO.

What is the InChIKey of (1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol?

The InChIKey is FFMMKXOFFGAIHE-MSIPVABCSA-N. The full InChI is InChI=1S/C42H66O33/c43-1-8-25-15(50)20(55)36(60-8)70-26-9(2-44)63-39(23(58)16(26)51)74-30-13(6-48)66-42(35-32(30)67-35)73-29-12(5-47)62-38(22(57)19(29)54)71-27-10(3-45)64-40(24(59)17(27)52)75-31-14(7-49)65-41(34-33(31)68-34)72-28-11(4-46)61-37(69-25)21(56)18(28)53/h8-59H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-/m1/s1.

What are the key properties of (1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol?

(1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol has a molecular weight of 1098.96 g/mol, XLogP of -13.14, 7 rotatable bonds, 17 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol is sourced from PubChem (CID 10748706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).