N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD)
TL;DR: N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD) (CAS 69861-86-5) is a chemical compound with molecular formula C52H68N18O32P4 and molecular weight 1580.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-(3-carbamoylpyridin-1-ium-1-yl)-5-[[[6-[[3-[2-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3-hydroxy-4-oxidooxolan-2-yl]methoxy]-2-oxoethyl]-3-carboxy-5-[[2-(hydrazinecarbonyl)-9-[(2R,5S)-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-2-yl]-7,8-dihydropurin-6-yl]amino]-2,4-dioxopentyl]amino]-9-[(2R,5S)-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-2-yl]-7,8-dihydropurin-2-yl]-diazenylmethoxy]methyl]-4-hydroxyoxolan-3-olate
Also Known As: Bis-NAD, N2,N2'-Adipodihydrazido-bis-(N6-carbonylmethyl-NAD), N(2),N(2)'-Adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD), Hexanedioic acid, bis(2-(((9-(5-O-(hydroxy(phosphonooxy)phosphinyl)-beta-D-ribofuranosyl)-9H-purin-6-yl)amino)acetyl)hydrazide), P'-5',P'''-5'''-diester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, bis(inner salt), (2R,3R,4S,5R)-2-(3-carbamoylpyridin-1-ium-1-yl)-5-[[[6-[[3-[2-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3-hydroxy-4-oxidooxolan-2-yl]methoxy]-2-oxoethyl]-3-carboxy-5-[[2-(hydrazinecarbonyl)-9-[(2R,5S)-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-2-yl]-7,8-dihydropurin-6-yl]amino]-2,4-dioxopentyl]amino]-9-[(2R,5S)-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-2-yl]-7,8-dihydropurin-2-yl]-diazenylmethoxy]methyl]-4-hydroxyoxolan-3-olate
| Molecular Formula | C52H68N18O32P4 |
|---|---|
| Molecular Weight | 1580.32 g/mol |
| LogP | -6.42803 |
| Topological Polar Surface Area | 748.48 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 38 |
| Rotatable Bonds | 35 |
| Exact Mass | 1580.3197 |
| Heavy Atoms | 106 |
| Complexity | 4264.6504 |
Chemical Identifiers
| CAS Number | 69861-86-5 |
|---|---|
| SMILES | C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)O)N2CNC3=C(N=C(N=C32)C(N=N)OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CC=CC(=C5)C(=O)N)[O-])O)NCC(=O)C(CC(=O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)[N+]7=CC=CC(=C7)C(=O)N)[O-])O)(C(=O)CNC8=C9C(=NC(=N8)C(=O)NN)N(CN9)[C@H]1CC[C@H](O1)COP(=O)(O)OP(=O)(O)O)C(=O)O |
Product Overview
N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD) (CAS 69861-86-5), with molecular formula C52H68N18O32P4 and molecular weight 1580.32 g/mol. IUPAC: (2R,3R,4S,5R)-2-(3-carbamoylpyridin-1-ium-1-yl)-5-[[[6-[[3-[2-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3-hydroxy-4-oxidooxolan-2-yl]methoxy]-2-oxoethyl]-3-carboxy-5-[[2-(hydrazinecarbonyl)-9-[(2R,5S)-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-2-yl]-7,8-dihydropurin-6-yl]amino]-2,4-dioxopentyl]amino]-9-[(2R,5S)-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-2-yl]-7,8-dihydropurin-2-yl]-diazenylmethoxy]methyl]-4-hydroxyoxolan-3-olate.
Chemical Property Profile of N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD)
Property Insights of N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD)
The XLogP value of -6.42803 indicates that N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 748.48 Ų indicates high polarity, suggesting N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD) has 18 hydrogen bond donor(s) and 38 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD)?
The CAS number of N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD) is 69861-86-5.
What is the molecular formula of N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD)?
The molecular formula of N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD) is C52H68N18O32P4.
What is the molecular weight of N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD)?
The molecular weight of N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD) is 1580.32 g/mol.
Where can I buy N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD)?
You can request a quote for N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD)?
Yes, KEHONG BIO provides custom synthesis services for N(2),N(2)'-adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.