![Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv. structure](/static/products/979/97902-38-0.png)
Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv.
TL;DR: Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv. (CAS 97902-38-0) is a chemical compound with molecular formula C16H14N8O13P- and molecular weight 557.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl hydrogen phosphate
Also Known As: 2',3'-O-Picryladenosine 5'-phosphate ion(1-), 2'-O-(2,4,6-Trinitrophenyl)-5'-adenylic acid, 3'-O-(2,4,6-Trinitrophenyl)-5'-adenylic acid, Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv., 2'(or 3')-O-(2,4,6-Trinitrophenyl)-5'-adenylic acid
| Molecular Formula | C16H14N8O13P- |
|---|---|
| Molecular Weight | 557.04 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 304.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 4 |
| Exact Mass | 557.0418 |
| Heavy Atoms | 38 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 97902-38-0 |
|---|---|
| SMILES | C1=C(C=C(C2(C1[N+](=O)[O-])O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GPCDUYSOKJJUAN-DIBLVGDCSA-M |
Product Overview
Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv. (CAS 97902-38-0), with molecular formula C16H14N8O13P- and molecular weight 557.04 g/mol. IUPAC: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl hydrogen phosphate.
Chemical Property Profile of Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv.
Property Insights of Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv.
The XLogP value of -2.7 indicates that Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv. is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 304.0 Ų indicates high polarity, suggesting Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv. has 2 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 Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv.?
The CAS number of Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv. is 97902-38-0.
What is the molecular formula of Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv.?
The molecular formula of Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv. is C16H14N8O13P-.
What is the molecular weight of Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv.?
The molecular weight of Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv. is 557.04 g/mol.
Where can I buy Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv.?
You can request a quote for Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv.?
Yes, KEHONG BIO provides custom synthesis services for Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.