3-碘吡啶腺嘌呤二核苷酸磷酸
TL;DR: 3-碘吡啶腺嘌呤二核苷酸磷酸 (CAS 91374-65-1) is a chemical compound with molecular formula C20H26IN6O16P3 and molecular weight 825.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-碘吡啶腺嘌呤二核苷酸磷酸
(2R,3R,4S,5R)-5-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-4-phosphonooxyoxolan-3-yl]oxymethyl]-4-hydroxy-2-(3-iodopyridin-1-ium-1-yl)oxolan-3-olate
Also Known As: 3-Inadp, 3-Iodopyridine-adenine dinucleotide phosphate, KST-1A8865, (2r,3r,4r,5r)-5-({[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-2-({[hydroxy(phosphonooxy)phosphoryl]oxy}methyl)-4-(phosphonooxy)tetrahydrofuran-3-yl]oxy}methyl)-4-hydroxy-2-(3-iodopyridinium-1-yl)tetrahydrofuran-3-olate(non-preferred name), (2R,3R,4S,5R)-5-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-4-phosphonooxyoxolan-3-yl]oxymethyl]-4-hydroxy-2-(3-iodopyridin-1-ium-1-yl)oxolan-3-olate
| Molecular Formula | C20H26IN6O16P3 |
|---|---|
| Molecular Weight | 825.97 g/mol |
| LogP | -4.2 |
| Topological Polar Surface Area | 325.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 12 |
| Exact Mass | 825.9663 |
| Heavy Atoms | 46 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 91374-65-1 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H](O[C@H]([C@@H]3OP(=O)(O)O)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)O)O)[O-])I |
| InChIKey | CQFJPMRGOPHIEG-HISDBWNOSA-N |
Product Overview
3-碘吡啶腺嘌呤二核苷酸磷酸 (CAS 91374-65-1), with molecular formula C20H26IN6O16P3 and molecular weight 825.97 g/mol. IUPAC: (2R,3R,4S,5R)-5-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-4-phosphonooxyoxolan-3-yl]oxymethyl]-4-hydroxy-2-(3-iodopyridin-1-ium-1-yl)oxolan-3-olate.
Chemical Property Profile of 3-碘吡啶腺嘌呤二核苷酸磷酸
Property Insights of 3-碘吡啶腺嘌呤二核苷酸磷酸
The XLogP value of -4.2 indicates that 3-碘吡啶腺嘌呤二核苷酸磷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 325.0 Ų indicates high polarity, suggesting 3-碘吡啶腺嘌呤二核苷酸磷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-碘吡啶腺嘌呤二核苷酸磷酸 has 7 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 3-碘吡啶腺嘌呤二核苷酸磷酸?
The CAS number of 3-碘吡啶腺嘌呤二核苷酸磷酸 is 91374-65-1.
What is the molecular formula of 3-碘吡啶腺嘌呤二核苷酸磷酸?
The molecular formula of 3-碘吡啶腺嘌呤二核苷酸磷酸 is C20H26IN6O16P3.
What is the molecular weight of 3-碘吡啶腺嘌呤二核苷酸磷酸?
The molecular weight of 3-碘吡啶腺嘌呤二核苷酸磷酸 is 825.97 g/mol.
Where can I buy 3-碘吡啶腺嘌呤二核苷酸磷酸?
You can request a quote for 3-碘吡啶腺嘌呤二核苷酸磷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-碘吡啶腺嘌呤二核苷酸磷酸?
Yes, KEHONG BIO provides custom synthesis services for 3-碘吡啶腺嘌呤二核苷酸磷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.