LL-D49194beta2
TL;DR: LL-D49194beta2 (CAS 6623-09-2) is a chemical compound with molecular formula C46H62O21 and molecular weight 950.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-19-[[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-methoxymethyl]-10,13-dihydroxy-6,17-dimethoxy-3-methylspiro[16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaene-18,2'-oxirane]-11-one
Also Known As: LL-D49194beta2, LL D49194beta 2, KST-1A9456, {8-[(2,6-dideoxy-3-c-methylhexopyranosyl)oxy]-10,12-dihydroxy-7,13a-dimethoxy-5-methyl-11-oxo-3a,8,9,10,11,13a-hexahydro-4h-spiro[2,4-epoxyfuro[3,2-b]naphtho[2,3-h]chromene-1,2'-oxiran]-2-yl}(methoxy)methyl 2,6-dideoxy-4-o-(2,6-dideoxy-3-c-methylhexopyranosyl)-3-c-methylhexopyranoside, 8-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-19-[[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-methoxymethyl]-10,13-dihydroxy-6,17-dimethoxy-3-methylspiro[16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaene-18,2'-oxirane]-11-one
| Molecular Formula | C46H62O21 |
|---|---|
| Molecular Weight | 950.38 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 282.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 10 |
| Exact Mass | 950.37836 |
| Heavy Atoms | 67 |
| Complexity | 1880.0 |
Chemical Identifiers
| CAS Number | 6623-09-2 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(C(=O)C3=C(C4=C(C=C(C5=C4OC6(C7C5OC(C68CO8)(O7)C(OC)OC9CC(C(C(O9)C)OC1CC(C(C(O1)C)O)(C)O)(C)O)OC)C)C(=C23)OC)O)O)(C)O)O |
| InChIKey | OBHSZXSXLFIRJG-UHFFFAOYSA-N |
Product Overview
LL-D49194beta2 (CAS 6623-09-2), with molecular formula C46H62O21 and molecular weight 950.38 g/mol. IUPAC: 8-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-19-[[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-methoxymethyl]-10,13-dihydroxy-6,17-dimethoxy-3-methylspiro[16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaene-18,2'-oxirane]-11-one.
Chemical Property Profile of LL-D49194beta2
Property Insights of LL-D49194beta2
The XLogP value of -0.1 indicates that LL-D49194beta2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 282.0 Ų indicates high polarity, suggesting LL-D49194beta2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, LL-D49194beta2 has 7 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of LL-D49194beta2?
The CAS number of LL-D49194beta2 is 6623-09-2.
What is the molecular formula of LL-D49194beta2?
The molecular formula of LL-D49194beta2 is C46H62O21.
What is the molecular weight of LL-D49194beta2?
The molecular weight of LL-D49194beta2 is 950.38 g/mol.
Where can I buy LL-D49194beta2?
You can request a quote for LL-D49194beta2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LL-D49194beta2?
Yes, KEHONG BIO provides custom synthesis services for LL-D49194beta2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.