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Naadp+ structure
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Naadp+

TL;DR: Naadp+ (CAS 119299-06-8) is a chemical compound with molecular formula C21H28N6O18P3+ and molecular weight 745.0673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-[(2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylic acid

Also Known As: NAADP, NAADP+, beta-NAADP, NAADP tetrasodium salt, NAADP(1+)

CAS Number
119299-06-8
Molecular Formula
C21H28N6O18P3+
Molecular Weight
745.0673 g/mol
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Technical Specifications

Molecular FormulaC21H28N6O18P3+
Molecular Weight745.0673 g/mol
XLogP-6.4
Topological Polar Surface Area (TPSA)359.0 Ų
Hydrogen Bond Donors9
Hydrogen Bond Acceptors22
Rotatable Bonds13
Exact Mass745.0673 Da
Heavy Atoms48
Complexity1300.0
SMILESC1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)O
InChIKeyQOTXBMGJKFVZRD-HISDBWNOSA-O

Chemical Property Profile of Naadp+

XLogP
-6.4
TPSA (Topological Polar Surface Area)
359.0
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
22
Rotatable Bonds
13
Heavy Atoms
48
Complexity
1300.0
Exact Mass
745.0673
Monoisotopic Mass
745.0673
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Naadp+

The XLogP value of -6.4 indicates that Naadp+ is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 359.0 Ų indicates high polarity, suggesting Naadp+ may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Naadp+ has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of Naadp+?

The CAS number of Naadp+ is 119299-06-8.

What is the molecular formula of Naadp+?

The molecular formula of Naadp+ is C21H28N6O18P3+.

What is the molecular weight of Naadp+?

The molecular weight of Naadp+ is 745.0673 g/mol.

Where can I buy Naadp+?

You can request a quote for Naadp+ directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Naadp+?

Yes, CoreyChem provides custom synthesis services for Naadp+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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