(1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol

C24H40O20 — CID 11686063

IUPAC(1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol
SMILESOC[C@H]1O[C@@H]2OC[C@H]3O[C@H](O[C@@H]4[C@@H](O)[C@@H](OC[C@H]5O[C@H](O[C@H]([C@H]2O)[C@@H]1O)[C@H](O)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]3O
InChIInChI=1S/C24H40O20/c25-1-5-11(29)19-17(35)21(39-5)37-3-7-9(27)14(32)16(34)24(42-7)44-20-12(30)6(2-26)40-22(18(20)36)38-4-8-10(28)13(31)15(33)23(41-8)43-19/h5-36H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19+,20+,21+,22+,23-,24-/m1/s1
InChIKeyNIFXVRWMHZPIFE-KCLHJWPFSA-N
MW648.56 g/mol
LogP-8.70
Rot. Bonds2

About (1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol

(1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol (PubChem CID 11686063) has the molecular formula C24H40O20 and a molecular weight of 648.56 g/mol. Its IUPAC name is (1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol.

Molecular Properties

Compound Name(1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol
PubChem CID11686063
Molecular FormulaC24H40O20
Molecular Weight648.56 g/mol
Exact Mass648.21
IUPAC Name(1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol
SMILESOC[C@H]1O[C@@H]2OC[C@H]3O[C@H](O[C@@H]4[C@@H](O)[C@@H](OC[C@H]5O[C@H](O[C@H]([C@H]2O)[C@@H]1O)[C@H](O)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]3O
InChIInChI=1S/C24H40O20/c25-1-5-11(29)19-17(35)21(39-5)37-3-7-9(27)14(32)16(34)24(42-7)44-20-12(30)6(2-26)40-22(18(20)36)38-4-8-10(28)13(31)15(33)23(41-8)43-19/h5-36H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19+,20+,21+,22+,23-,24-/m1/s1
InChIKeyNIFXVRWMHZPIFE-KCLHJWPFSA-N
XLogP-8.70
TPSA316.60 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500648.56
LogP ≤ 5-8.70
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Analyze (1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol?
The IUPAC name of (1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol (CID 11686063) is (1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol.
What is the SMILES notation for (1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol?
The canonical SMILES for (1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol is OC[C@H]1O[C@@H]2OC[C@H]3O[C@H](O[C@@H]4[C@@H](O)[C@@H](OC[C@H]5O[C@H](O[C@H]([C@H]2O)[C@@H]1O)[C@H](O)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]3O.
What is the InChIKey of (1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol?
The InChIKey is NIFXVRWMHZPIFE-KCLHJWPFSA-N. The full InChI is InChI=1S/C24H40O20/c25-1-5-11(29)19-17(35)21(39-5)37-3-7-9(27)14(32)16(34)24(42-7)44-20-12(30)6(2-26)40-22(18(20)36)38-4-8-10(28)13(31)15(33)23(41-8)43-19/h5-36H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19+,20+,21+,22+,23-,24-/m1/s1.
What are the key properties of (1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol?
(1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol has a molecular weight of 648.56 g/mol, XLogP of -8.70, 2 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol is sourced from PubChem (CID 11686063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).