Atelopidtoxin
TL;DR: Atelopidtoxin (CAS 9061-57-8) is a chemical compound with molecular formula C16H24N8O12S and molecular weight 552.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-2-[(4R,6R,8'S,15'S)-3',10'-diamino-3,6',14',14'-tetrahydroxy-2,7'-dioxospiro[1,3-oxazinane-6,13'-2,4,6,9,11-pentazatetracyclo[6.6.1.01,11.04,15]pentadeca-2,9-diene]-4-yl]-3-hydroxypropyl] hydrogen sulfate
Also Known As: Atelopidtoxin, (2s)-2-[(3a's,4r,6r,12a's)-5',11'-diamino-2',3,9',9'-tetrahydroxy-2,3'-dioxo-2',3',3a',12a'-tetrahydro-1'h-spiro[1,3-oxazinane-6,8'-pyrimido[1,6,5-gh]pyrrolo[1,2-c]purin]-4-yl]-3-hydroxypropyl hydrogen sulfate, (2S)-2-[(3'aS,4R,6R,12'aS)-2',3,9',9'-Tetrahydroxy-5',11'-diimino-2,3'-dioxooctahydro-1'H,7'H,9'H-spiro[[1,3]oxazinane-6,8'-pyrimido[1,6,5-gh]pyrrolo[1,2-c]purin]-4-yl]-3-hydroxypropyl hydrogen sulfate, 3-Hydroxy-2-(2',3,9',9'-tetrahydroxy-5',11'-diimino-2,3'-dioxooctahydro-1'H,7'H,9'H-spiro[1,3-oxazinane-6,8'-pyrimido[1,6,5-gh]pyrrolo[1,2-c]purin]-4-yl)propyl hydrogen sulfate
| Molecular Formula | C16H24N8O12S |
|---|---|
| Molecular Weight | 552.12 g/mol |
| LogP | -7.0 |
| Topological Polar Surface Area | 306.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 552.1234 |
| Heavy Atoms | 37 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 9061-57-8 |
|---|---|
| SMILES | C1[C@@H](N(C(=O)O[C@@]12CN3C(=N[C@H]4[C@H]5C3(C2(O)O)N=C(N5CN(C4=O)O)N)N)O)[C@@H](CO)COS(=O)(=O)O |
| InChIKey | KRRJLHUVFILNLG-VSWOAESESA-N |
Product Overview
Atelopidtoxin (CAS 9061-57-8), with molecular formula C16H24N8O12S and molecular weight 552.12 g/mol. IUPAC: [(2S)-2-[(4R,6R,8'S,15'S)-3',10'-diamino-3,6',14',14'-tetrahydroxy-2,7'-dioxospiro[1,3-oxazinane-6,13'-2,4,6,9,11-pentazatetracyclo[6.6.1.01,11.04,15]pentadeca-2,9-diene]-4-yl]-3-hydroxypropyl] hydrogen sulfate.
Chemical Property Profile of Atelopidtoxin
Property Insights of Atelopidtoxin
The XLogP value of -7.0 indicates that Atelopidtoxin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 306.0 Ų indicates high polarity, suggesting Atelopidtoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Atelopidtoxin has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Atelopidtoxin?
The CAS number of Atelopidtoxin is 9061-57-8.
What is the molecular formula of Atelopidtoxin?
The molecular formula of Atelopidtoxin is C16H24N8O12S.
What is the molecular weight of Atelopidtoxin?
The molecular weight of Atelopidtoxin is 552.12 g/mol.
Where can I buy Atelopidtoxin?
You can request a quote for Atelopidtoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atelopidtoxin?
Yes, KEHONG BIO provides custom synthesis services for Atelopidtoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.