(1R,3R,5R,6S,8R,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol

C36H56O28 — CID 101235779

About (1R,3R,5R,6S,8R,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol

(1R,3R,5R,6S,8R,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol (PubChem CID 101235779) has the molecular formula C36H56O28 and a molecular weight of 936.82 g/mol. Its IUPAC name is (1R,3R,5R,6S,8R,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol.

Molecular Properties

• Compound Name: (1R,3R,5R,6S,8R,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol
• PubChem CID: 101235779
• Molecular Formula: C36H56O28
• Molecular Weight: 936.82 g/mol
• Exact Mass: 936.30
• IUPAC Name: (1R,3R,5R,6S,8R,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol
• 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]7O[C@@H]7[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO
• InChI: InChI=1S/C36H56O28/c37-1-7-21-13(43)17(47)31(51-7)60-22-8(2-38)53-33(19(49)14(22)44)63-25-11(5-41)56-36(30-27(25)57-30)62-24-10(4-40)54-34(20(50)16(24)46)64-26-12(6-42)55-35(29-28(26)58-29)61-23-9(3-39)52-32(59-21)18(48)15(23)45/h7-50H,1-6H2/t7-,8-,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-/m1/s1
• InChIKey: DFZHYOXUQYBFIH-YBEXBHOHSA-N
• XLogP: -10.96
• TPSA: 419.04 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	936.82
LogP ≤ 5	-10.96
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	28

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,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol?

The IUPAC name of (1R,3R,5R,6S,8R,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol (CID 101235779) is (1R,3R,5R,6S,8R,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol.

What is the SMILES notation for (1R,3R,5R,6S,8R,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol?

The canonical SMILES for (1R,3R,5R,6S,8R,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol 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]7O[C@@H]7[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)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,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol?

The InChIKey is DFZHYOXUQYBFIH-YBEXBHOHSA-N. The full InChI is InChI=1S/C36H56O28/c37-1-7-21-13(43)17(47)31(51-7)60-22-8(2-38)53-33(19(49)14(22)44)63-25-11(5-41)56-36(30-27(25)57-30)62-24-10(4-40)54-34(20(50)16(24)46)64-26-12(6-42)55-35(29-28(26)58-29)61-23-9(3-39)52-32(59-21)18(48)15(23)45/h7-50H,1-6H2/t7-,8-,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-/m1/s1.

What are the key properties of (1R,3R,5R,6S,8R,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol?

(1R,3R,5R,6S,8R,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol has a molecular weight of 936.82 g/mol, XLogP of -10.96, 6 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3R,5R,6S,8R,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol is sourced from PubChem (CID 101235779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).