Spartanamicin A
TL;DR: Spartanamicin A (CAS 104759-19-5) is a chemical compound with molecular formula C42H51NO16 and molecular weight 825.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5R,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: Spartanamicin A, Antibiotic 80334 B, Antibiotic sipi 80334-B, Methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5R,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate, 1-Naphthacenecarboxylic acid, 4-(((2''',3''-anhydro)-O-3,6-dideoxy-beta-D-threo-hexopyranos-4-ulos-1-yl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-
| Molecular Formula | C42H51NO16 |
|---|---|
| Molecular Weight | 825.32 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 825.3208 |
| Heavy Atoms | 59 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 104759-19-5 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@H]7[C@@H]([C@@H](O6)C)O[C@H]8[C@@H](O7)CC(=O)[C@H](O8)C)N(C)C)O |
| InChIKey | ZBDDFHXUDIPRSM-OKLXHZLRSA-N |
Product Overview
Spartanamicin A (CAS 104759-19-5), with molecular formula C42H51NO16 and molecular weight 825.32 g/mol. IUPAC: methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5R,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of Spartanamicin A
Property Insights of Spartanamicin A
The XLogP value of 4.0 indicates that Spartanamicin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 226.0 Ų indicates high polarity, suggesting Spartanamicin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spartanamicin A has 4 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spartanamicin A?
The CAS number of Spartanamicin A is 104759-19-5.
What is the molecular formula of Spartanamicin A?
The molecular formula of Spartanamicin A is C42H51NO16.
What is the molecular weight of Spartanamicin A?
The molecular weight of Spartanamicin A is 825.32 g/mol.
Where can I buy Spartanamicin A?
You can request a quote for Spartanamicin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spartanamicin A?
Yes, KEHONG BIO provides custom synthesis services for Spartanamicin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.