Adenosine5'-(trihydrogen diphosphate), P'-anhydride with phosphorothioic acid, lithiumsalt (1:4) supplier

Name
ADENOSINE 5'-O-(3-THIOTRIPHOSPHATE), TETRALITHIUM SALT
EINECS 298-862-8
CAS No. 93839-89-5
Density
Solubility 25 mg/mL in water
Melting Point
Formula C₁₀H₁₂Li₄N₅O₁₂P₃S
Boiling Point 940.5 °C at 760 mmHg
Molecular Weight 546.98
Flash Point 522.6 °C
Transport Information
Appearance white powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Adenosine5'-(trihydrogen diphosphate), P'-anhydride with phosphorothioic acid,tetralithium salt (9CI);tetralithium 5'-O-[({[(dioxidophosphorothioyl)oxy]phosphinato}oxy)phosphinato]adenosine;Adenosine 5'-(3-thiotriphosphate) tetralithium salt;Ado-5'-PPP[S];Adenosine 5′-[γ-thio]triphosphate tetralithium salt;
PSA 334.90000
LogP 1.47200

Adenosine5'-(trihydrogen diphosphate), P'-anhydride with phosphorothioic acid, lithiumsalt (1:4) Specification

The Adenosine5'-(trihydrogen diphosphate), P'-anhydride with phosphorothioic acid, lithiumsalt (1:4), with the CAS registry number 93839-89-5 and EINECS registry number 298-862-8, has the systematic name of tetralithium 5'-O-[({[(dioxidophosphorothioyl)oxy]phosphinato}oxy)phosphinato]adenosine. And the molecular formula of the chemical is C₁₀H₁₂Li₄N₅O₁₂P₃S.

The characteristics of Adenosine5'-(trihydrogen diphosphate), P'-anhydride with phosphorothioic acid, lithiumsalt (1:4) are as followings: (1)ACD/LogP: -3.57; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -9.03; (4)ACD/LogD (pH 7.4): -9.59; (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 acceptors: 17; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 278.8 Å²; (13)Flash Point: 522.6 °C; (14)Enthalpy of Vaporization: 143.36 kJ/mol; (15)Boiling Point: 940.5 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Li+].[Li+].[Li+].[Li+].[O-]P([O-])(=S)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O
(2)InChI: InChI=1/C10H16N5O12P3S.4Li/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31;;;;/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31);;;;/q;4*+1/p-4/t4-,6-,7-,10-;;;;/m1..../s1
(3)InChIKey: DWQFDOIBOYDYKH-ZVNUDWMIBA

Product Name

ADENOSINE 5'-O-(3-THIOTRIPHOSPHATE), TETRALITHIUM SALT

Adenosine5'-(trihydrogen diphosphate), P'-anhydride with phosphorothioic acid, lithiumsalt (1:4) Specification

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