Adenosine5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'®5'-ester with3-(aminocarbonyl)-1-b-D-ribofuranosylpyridinium, inner salt, sodium salt (1:1) (1184-16-3)

Identification
Name:	Adenosine5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'®5'-ester with3-(aminocarbonyl)-1-b-D-ribofuranosylpyridinium, inner salt, sodium salt (1:1)
Synonyms:	5'-ester with3-(aminocarbonyl)-1-b-D-ribofuranosylpyridinium, inner salt, monosodium salt (9CI);5'-ester with 3-(aminocarbonyl)-1-b-D-ribofuranosylpyridinium hydroxide, inner salt,2'-(dihydrogen phosphate), monosodium salt;Adenosine 5'-(trihydrogendiphosphate), P'?;5'-esterwith 3-(aminocarbonyl)-1-b-D-ribofuranosylpyridinium, inner salt, 2'-(dihydrogen phosphate),monosodium salt;NSC 20273;Sodium NADP;
CAS:	1184-16-3
EINECS:	214-664-6
Molecular Formula:	C₂₁H₂₈N₇O₁₇P₃.Na
Molecular Weight:	744.412943
InChI:	InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1
Molecular Structure:
Properties
Water Solubility:	H2O: 50 mg/mL
Solubility:	H2O: 50 mg/mL
Appearance:	off-white to yellow powder
Specification:	The cas register number of beta-Nicotinamide adenine dinucleotide phosphate sodium salt is 1184-16-3. It also can be called as Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate),5',5'-ester with 3-(aminocarbonyl)-1-beta-d-ribofuranosylpyridini um hydroxide, inner salt, monosodium salt and the Systematic name about this chemical is potassium [[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-oxidophosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate. Physical properties about beta-Nicotinamide adenine dinucleotide phosphate sodium salt are: (1)H-Bond Donor: 7; (2)H-Bond Acceptor: 21; (3)Rotatable Bond Count: 13; (4)Tautomer Count: 6; (5)Exact Mass: 781.031334; (6)MonoIsotopic Mass: 781.031334; (7)Topological Polar Surface Area: 370; (8)Heavy Atom Count: 49; (9)Formal Charge: 0; (10)Complexity: 1290; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 8; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 2. When you are using this chemical, please be cautious about it as the following: It is irritating to eyes, respiratory system and skin. People do not breathe dust and avoid contact with skin and eyes. People must wear suitable gloves and eye/face protection and suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People can use the following data to convert to the molecule structure. 1.SMILES: c1cc(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)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N.[Na+] 2.InChI: InChI=1/C21H28N7O17P3.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);/q;+1/t10-,11-,13-,14-,15-,16-,20-,21-;/m1./s1 3.InChIKey: JNUMDLCHLVUHFS-QYZPTAICBK 4.Std. InChI: InChI=1S/C21H28N7O17P3.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);/q;+1/t10-,11-,13-,14-,15-,16-,20-,21-;/m1./s1
Storage Temperature:	−20°C
Color:	off-white to yellow
Safety Data

Adenosine5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'®5'-ester with3-(aminocarbonyl)-1-b-D-ribofuranosylpyridinium, inner salt, sodium salt (1:1) (1184-16-3)

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