![I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate) structure](/static/products/6103/61036-46-2.webp)
I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate)
TL;DR: I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate) (CAS 61036-46-2) is a chemical compound with molecular formula C47H66O16 and molecular weight 886.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5'-[6-(deca-2,4-dienoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3',4,6-trihydroxy-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] 7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
Also Known As: I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate)
| Molecular Formula | C47H66O16 |
|---|---|
| Molecular Weight | 886.44 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 251.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Exact Mass | 886.43506 |
| Heavy Atoms | 63 |
| Complexity | 1590.0 |
Chemical Identifiers
| CAS Number | 61036-46-2 |
|---|---|
| SMILES | CCCCCC=CC=CC(=O)OCC1C(C(C(C(O1)OC2C(OC3(C(C2OC(=O)C=CC=CCC(C(=CC=CCCC(C)CC)C)O)O)C4=C(CO3)C=C(C=C4O)O)CO)O)O)O |
| InChIKey | DPVWBQZOSHCQTG-UHFFFAOYSA-N |
Product Overview
I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate) (CAS 61036-46-2), with molecular formula C47H66O16 and molecular weight 886.44 g/mol. IUPAC: [5'-[6-(deca-2,4-dienoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3',4,6-trihydroxy-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] 7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate.
Chemical Property Profile of I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate)
Property Insights of I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate)
The XLogP value of 5.2 indicates that I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 251.0 Ų indicates high polarity, suggesting I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate) has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate)?
The CAS number of I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate) is 61036-46-2.
What is the molecular formula of I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate)?
The molecular formula of I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate) is C47H66O16.
What is the molecular weight of I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate)?
The molecular weight of I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate) is 886.44 g/mol.
Where can I buy I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate)?
You can request a quote for I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate)?
Yes, KEHONG BIO provides custom synthesis services for I(2)-D-Galactopyranoside, (1S,3a(2)R,4a(2)R,5a(2)R,6a(2)R)-3a(2),4a(2),5a(2),6a(2)-tetrahydro-3a(2),5,7-trihydroxy-4a(2)-[(7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy]-6a(2)-(hydroxymethyl)spiro[isobenzofuran-1(3H),2a(2)-[2H]pyran]-5a(2)-yl, 6-(2,4-decadienoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.