Asparanin D
TL;DR: Asparanin D (CAS 83931-89-9) is a chemical compound with molecular formula C50H82O21 and molecular weight 1018.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-hydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
Also Known As: Asparanin D, beta-D-Glucopyranoside, (3beta,5beta,25S)-spirostan-3-ylO-alpha-L-arabinopyranosyl-(1->4)-O-(6-deoxy-alpha-L-mannopyranosyl-(1->6))-O-(beta-D-glucopyranosyl-(1->2))-, spirostan-3-yl 6-deoxyhexopyranosyl-(1->6)-[hexopyranosyl-(1->2)]-[pentopyranosyl-(1->4)]hexopyranoside
| Molecular Formula | C50H82O21 |
|---|---|
| Molecular Weight | 1018.53 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 315.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 10 |
| Exact Mass | 1018.53485 |
| Heavy Atoms | 71 |
| Complexity | 1820.0 |
Chemical Identifiers
| CAS Number | 83931-89-9 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)COC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(CO9)O)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)C)C)C)OC1 |
| InChIKey | FFAHEGKVGQPZOA-UHFFFAOYSA-N |
Product Overview
Asparanin D (CAS 83931-89-9), with molecular formula C50H82O21 and molecular weight 1018.53 g/mol. IUPAC: 2-[[4-hydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Asparanin D
Property Insights of Asparanin D
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Asparanin D. The TPSA of 315.0 Ų indicates high polarity, suggesting Asparanin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Asparanin D has 11 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 Asparanin D?
The CAS number of Asparanin D is 83931-89-9.
What is the molecular formula of Asparanin D?
The molecular formula of Asparanin D is C50H82O21.
What is the molecular weight of Asparanin D?
The molecular weight of Asparanin D is 1018.53 g/mol.
Where can I buy Asparanin D?
You can request a quote for Asparanin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asparanin D?
Yes, KEHONG BIO provides custom synthesis services for Asparanin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.