Ashimycin A
TL;DR: Ashimycin A (CAS 123482-11-1) is a chemical compound with molecular formula C27H47N7O18 and molecular weight 757.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-[2-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-formyl-4-hydroxy-5-methyloxolan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-3,4-dihydroxy-5-(hydroxymethyl)oxolane-3-carboxylic acid
Also Known As: Ashimycin A, 2-[6-[2-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-formyl-4-hydroxy-5-methyloxolan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-3,4-dihydroxy-5-(hydroxymethyl)oxolane-3-carboxylic acid, D-Streptamine, O-2-C-carboxypentofuranosyl-(1-4)-O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-, 2,4-Bis(carbamimidoylamino)-3,5,6-trihydroxycyclohexyl 2-C-carboxypentofuranosyl-(1->4)-2-deoxy-2-(methylamino)hexopyranosyl-(1->2)-5-deoxy-3-C-formylpentofuranoside, 2,4-Dicarbamimidamido-3,5,6-trihydroxycyclohexyl 2-C-carboxypentofuranosyl-(1->4)-2-deoxy-2-(methylamino)hexopyranosyl-(1->2)-5-deoxy-3-C-formylpentofuranoside
| Molecular Formula | C27H47N7O18 |
|---|---|
| Molecular Weight | 757.30 g/mol |
| LogP | -10.243 |
| Topological Polar Surface Area | 432.65 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 13 |
| Exact Mass | 757.2977 |
| Heavy Atoms | 52 |
| Complexity | 1327.7139 |
Chemical Identifiers
| CAS Number | 123482-11-1 |
|---|---|
| SMILES | CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)OC4C(C(C(O4)CO)O)(C(=O)O)O)O)NC)(C=O)O |
Product Overview
Ashimycin A (CAS 123482-11-1), with molecular formula C27H47N7O18 and molecular weight 757.30 g/mol. IUPAC: 2-[6-[2-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-formyl-4-hydroxy-5-methyloxolan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-3,4-dihydroxy-5-(hydroxymethyl)oxolane-3-carboxylic acid.
Chemical Property Profile of Ashimycin A
Property Insights of Ashimycin A
The XLogP value of -10.243 indicates that Ashimycin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 432.65 Ų indicates high polarity, suggesting Ashimycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ashimycin A has 15 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ashimycin A?
The CAS number of Ashimycin A is 123482-11-1.
What is the molecular formula of Ashimycin A?
The molecular formula of Ashimycin A is C27H47N7O18.
What is the molecular weight of Ashimycin A?
The molecular weight of Ashimycin A is 757.30 g/mol.
Where can I buy Ashimycin A?
You can request a quote for Ashimycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ashimycin A?
Yes, KEHONG BIO provides custom synthesis services for Ashimycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.