Adenosine, 8-bromo-,cyclic 3',5'-(hydrogen phosphate), monosodium salt (9CI) supplier

Name
8-BROMOADENOSINE-3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT
EINECS
CAS No. 76939-46-3
Density
Solubility
Melting Point
Formula C₁₀H₁₀BrN₅NaO₆P
Boiling Point
Molecular Weight 430.08
Flash Point
Transport Information
Appearance off-white powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms sodium (1S,6R,8R,9R)-8-(6-amino-8-bromo-purin-9-yl)-3-oxido-3-oxo-2,4,7-trioxa-3$l5-phosphabicyclo[4.3.0]nonan-9-ol;sodium 6-(6-amino-8-bromopurin-9-yl)-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;8-Br-cAMP;8-Bromoadenosine 3′,5′-cyclic monophosphate sodium salt;8-Bromoadenosine-3￠,5￠-cyclic monophosphate sodium salt;8-Bromo-cAMP;8-Bromo-cAMP, sodium salt;
PSA 167.48000
LogP 0.96450

Adenosine, 8-bromo-,cyclic 3',5'-(hydrogen phosphate), monosodium salt (9CI) Specification

The Adenosine, 8-bromo-,cyclic 3',5'-(hydrogen phosphate), monosodium salt (9CI), with the CAS registry number 76939-46-3, has the systematic name of sodium (1S,6R,8R,9R)-8-(6-amino-8-bromo-purin-9-yl)-3-oxido-3-oxo-2,4,7-trioxa-3$l5-phosphabicyclo[4.3.0]nonan-9-ol. It is a kind of off-white powder, and belongs to the product category of Cyclic Nucleotide related. And the molecular formula of the chemical is C₁₀H₁₀BrN₅NaO₆P. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes. Amd it should be stored at -20°C.

The characteristics of Adenosine, 8-bromo-,cyclic 3',5'-(hydrogen phosphate), monosodium salt (9CI) are as followings: (1)H-Bond Donor 2; (2)H-Bond Acceptor 10; (3)Rotatable Bond Count 1; (4)Tautomer Count 3; (5)Exact Mass 428.944977; (6)MonoIsotopic Mass 428.944977; (7)Topological Polar Surface Area 158; (8)Heavy Atom Count 24; (9)Formal Charge 0; (10)Complexity 538; (11)Isotope Atom Count 0; (12)Defined Atom StereoCenter Count 0; (13)Undefined Atom StereoCenter Count 4; (14)Defined Bond StereoCenter Count 0; (15)Undefined Bond StereoCenter Count 0; (16)Covalently-Bonded Unit Count 2.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].Nc4ncnc3c4nc(Br)n3[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O
(2)InChI: InChI=1/C10H11BrN5O6P.Na/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6;/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14);/q;+1/p-1/t3-,5-,6-,9-;/m1./s1
(3)InChIKey: DMRMZQATXPQOTP-PXNHEBIVBO

Product Name

8-BROMOADENOSINE-3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT

Adenosine, 8-bromo-,cyclic 3',5'-(hydrogen phosphate), monosodium salt (9CI) Specification

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