N(6)-(N-(2-Aminoethyl)carbamoyl)nadp
TL;DR: N(6)-(N-(2-Aminoethyl)carbamoyl)nadp (CAS 95754-67-9) is a chemical compound with molecular formula C26H38N9O18P3 and molecular weight 857.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-5-[6-[[3-(2-aminoethylamino)-3-oxopropyl]amino]purin-9-yl]-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl]oxymethyl]-4-carbamoyl-4-hydroxy-2-pyridin-1-ium-1-yloxolan-3-olate
Also Known As: Aecenadp, N(6)-(N-(2-Aminoethyl)carbamoyl)nadp, (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-5-[6-[[3-(2-aminoethylamino)-3-oxopropyl]amino]purin-9-yl]-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl]oxymethyl]-4-carbamoyl-4-hydroxy-2-pyridin-1-ium-1-yloxolan-3-olate, Adenosine 5'-(trihydrogen diphosphate), N-(3-((2-aminoethyl)amino)-3-oxopropyl)-, 2'-(dihydrogen phosphate), 5'-5'-ester with 3'-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt
| Molecular Formula | C26H38N9O18P3 |
|---|---|
| Molecular Weight | 857.15 g/mol |
| LogP | -8.3 |
| Topological Polar Surface Area | 409.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 19 |
| Exact Mass | 857.1548 |
| Heavy Atoms | 56 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 95754-67-9 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)[C@H]2[C@@H]([C@]([C@H](O2)COP(=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)NCCC(=O)NCCN)OP(=O)(O)O)O)OP(=O)(O)O)(C(=O)N)O)[O-] |
| InChIKey | NVTXONBQSHSMAR-UTRFKAFOSA-N |
Product Overview
N(6)-(N-(2-Aminoethyl)carbamoyl)nadp (CAS 95754-67-9), with molecular formula C26H38N9O18P3 and molecular weight 857.15 g/mol. IUPAC: (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-5-[6-[[3-(2-aminoethylamino)-3-oxopropyl]amino]purin-9-yl]-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl]oxymethyl]-4-carbamoyl-4-hydroxy-2-pyridin-1-ium-1-yloxolan-3-olate.
Chemical Property Profile of N(6)-(N-(2-Aminoethyl)carbamoyl)nadp
Property Insights of N(6)-(N-(2-Aminoethyl)carbamoyl)nadp
The XLogP value of -8.3 indicates that N(6)-(N-(2-Aminoethyl)carbamoyl)nadp is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 409.0 Ų indicates high polarity, suggesting N(6)-(N-(2-Aminoethyl)carbamoyl)nadp may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(6)-(N-(2-Aminoethyl)carbamoyl)nadp has 10 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N(6)-(N-(2-Aminoethyl)carbamoyl)nadp?
The CAS number of N(6)-(N-(2-Aminoethyl)carbamoyl)nadp is 95754-67-9.
What is the molecular formula of N(6)-(N-(2-Aminoethyl)carbamoyl)nadp?
The molecular formula of N(6)-(N-(2-Aminoethyl)carbamoyl)nadp is C26H38N9O18P3.
What is the molecular weight of N(6)-(N-(2-Aminoethyl)carbamoyl)nadp?
The molecular weight of N(6)-(N-(2-Aminoethyl)carbamoyl)nadp is 857.15 g/mol.
Where can I buy N(6)-(N-(2-Aminoethyl)carbamoyl)nadp?
You can request a quote for N(6)-(N-(2-Aminoethyl)carbamoyl)nadp directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(6)-(N-(2-Aminoethyl)carbamoyl)nadp?
Yes, KEHONG BIO provides custom synthesis services for N(6)-(N-(2-Aminoethyl)carbamoyl)nadp and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.