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Adenosine 5'-diphosphate sodium salt

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Name

Adenosine 5'-diphosphate sodium salt

EINECS 2017-001-1
CAS No. 20398-34-9 Density 2.49 g/cm3
PSA 260.71000 LogP 0.14980
Solubility clear to slightly hazy colorless to very faint yellow solution at 50mg/ml of water Melting Point N/A
Formula C10H14N5NaO10P2 Boiling Point 877.7 ºC at 760 mmHg
Molecular Weight 471.168 Flash Point 484.6 ºC
Transport Information N/A Appearance white to off-white powder
Safety 36/37 Risk Codes 20/21/22-68/20/21/22
Molecular Structure Molecular Structure of 20398-34-9 (Adenosine 5'-diphosphate sodium salt) Hazard Symbols HarmfulXn
Synonyms

[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid;Adenosine 5-diphosphate;Adenosine-5'-diphosphate disodium salt;

Article Data 7

Adenosine 5'-diphosphate sodium salt Specification

The IUPAC name of Adenosine 5'-diphosphate sodium salt is Sodium[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate. With the CAS registry number 20398-34-9, it is also named as Adenosine 5-diphosphate. The product's categories are nucleotides and nucleic acids. In addition, its molecular formula is C10H14N5NaO10P2 and its molecular weight is 449.18. Besides, this chemical is white to off-white powder, which should be stored at -20 °C. It is clear to slightly hazy colorless to very faint yellow solution at 50mg/ml of water. And it used in biochemical study.

The other characteristics of Adenosine 5'-diphosphate sodium salt can be summarized as: (1)ACD/LogP: -2.91; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -7.37; (4)ACD/LogD (pH 7.4): -7.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)H-Bond Donor: 5; (10)H-Bond Acceptor: 14; (11)Freely Rotating Bonds: 8; (12)Rotatable Bond Count: 6; (13)Tautomer Count: 3; (14)Exact Mass: 449.011359; (15)MonoIsotopic Mass: 449.011359; (16)Topological Polar Surface Area: 235; (17)Heavy Atom Count: 28; (18)Complexity: 650; (19) Density: 2.49 g/cm3; (20)Flash Point: 484.6 °C; (21)Enthalpy of Vaporization: 133.64 kJ/mol; (22)Boiling Point: 877.7 °C at 760 mmHg; (23)Vapour Pressure: 5.8E-33 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: Adenosine 5'-diphosphate sodium salt is harmful by inhalation, in contact with skin and if swallowed. Moreover, this chemical is possible risk of irreversible effects. Please wear suitable protective clothing and gloves.

People can use the following data to convert to the molecule structure.
(1)SMILES:[Na+].[O-]P(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O
(2)InChI:InChI=1/C10H15N5O10P2.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1

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