CID 104848
TL;DR: CID 104848 (CAS 60748-39-2) is a chemical compound with molecular formula C10H17N7O9S and molecular weight 411.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methyl carbamate
Also Known As: Gonyautoxin I, Gonyautoxin 1, Gonyautoxin-I, Toxin GTX1, GTX I
| Molecular Formula | C10H17N7O9S |
|---|---|
| Molecular Weight | 411.08 g/mol |
| LogP | -5.7 |
| Topological Polar Surface Area | 266.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.08084 |
| Heavy Atoms | 27 |
| Complexity | 810.0 |
Chemical Identifiers
| CAS Number | 60748-39-2 |
|---|---|
| SMILES | C1C(C(C23N1C(=N)N(C(C2N=C(N3)N)COC(=O)N)O)(O)O)OS(=O)(=O)O |
| InChIKey | CETRDCWBMBILAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CID 104848 (CAS 60748-39-2), with molecular formula C10H17N7O9S and molecular weight 411.08 g/mol. IUPAC: (2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methyl carbamate.
Chemical Property Profile of CID 104848
Property Insights of CID 104848
The XLogP value of -5.7 indicates that CID 104848 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 266.0 Ų indicates high polarity, suggesting CID 104848 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CID 104848 has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CID 104848?
The CAS number of CID 104848 is 60748-39-2.
What is the molecular formula of CID 104848?
The molecular formula of CID 104848 is C10H17N7O9S.
What is the molecular weight of CID 104848?
The molecular weight of CID 104848 is 411.08 g/mol.
Where can I buy CID 104848?
You can request a quote for CID 104848 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 104848?
Yes, KEHONG BIO provides custom synthesis services for CID 104848 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.