Strictosidine, 5alpha-carboxy-
TL;DR: Strictosidine, 5alpha-carboxy- (CAS 34371-11-4) is a chemical compound with molecular formula C28H34N2O11 and molecular weight 574.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R)-1-[[(2S,3R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: Strictosidine, 5alpha-carboxy-, 5alpha-Carboxystrictosidine, 5alpha-Carboxy-3-isovincoside, (1S,3R)-1-[[(2S,3R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, (1S,3R)-1-{[(2S,3R)-3-Ethenyl-2-(beta-D-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]methyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
| Molecular Formula | C28H34N2O11 |
|---|---|
| Molecular Weight | 574.22 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 574.21625 |
| Heavy Atoms | 41 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 34371-11-4 |
|---|---|
| SMILES | COC(=O)C1=CO[C@H]([C@@H](C1C[C@H]2C3=C(C[C@@H](N2)C(=O)O)C4=CC=CC=C4N3)C=C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChIKey | LHKZIVMTXZLOTP-ZCCQUAMYSA-N |
Product Overview
Strictosidine, 5alpha-carboxy- (CAS 34371-11-4), with molecular formula C28H34N2O11 and molecular weight 574.22 g/mol. IUPAC: (1S,3R)-1-[[(2S,3R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of Strictosidine, 5alpha-carboxy-
Property Insights of Strictosidine, 5alpha-carboxy-
The XLogP value of -2.1 indicates that Strictosidine, 5alpha-carboxy- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.0 Ų indicates high polarity, suggesting Strictosidine, 5alpha-carboxy- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Strictosidine, 5alpha-carboxy- has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Strictosidine, 5alpha-carboxy-?
The CAS number of Strictosidine, 5alpha-carboxy- is 34371-11-4.
What is the molecular formula of Strictosidine, 5alpha-carboxy-?
The molecular formula of Strictosidine, 5alpha-carboxy- is C28H34N2O11.
What is the molecular weight of Strictosidine, 5alpha-carboxy-?
The molecular weight of Strictosidine, 5alpha-carboxy- is 574.22 g/mol.
Where can I buy Strictosidine, 5alpha-carboxy-?
You can request a quote for Strictosidine, 5alpha-carboxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Strictosidine, 5alpha-carboxy-?
Yes, KEHONG BIO provides custom synthesis services for Strictosidine, 5alpha-carboxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.