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41941-56-4

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Basic Information
CAS No.: 41941-56-4
Name: 8-CHLORO-CAMP
Molecular Structure:
Molecular Structure of 41941-56-4 (8-CHLORO-CAMP)
Formula: C10H11ClN5O6P
Molecular Weight: 363.654
Synonyms: 8-Chloro-cyclic AMP;8-Chloroadenosine3',5'-cyclic monophosphate;8-Chloroadenosine 3',5'-cyclic phosphate;NSC284751;NSC 614491;Tocladesine;
Density: 2.55 g/cm3
Boiling Point: 731.7 °C at 760 mmHg
Flash Point: 396.3 °C
Solubility: aqueous base: soluble
Appearance: White to off-white powder
PSA: 164.65000
LogP: 0.41720
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Specification

The Adenosine, 8-chloro-,cyclic 3',5'-(hydrogen phosphate), with the CAS registry number 41941-56-4, is also known as NSC284751. This chemical's molecular formula is C10H11ClN5O6P and molecular weight is 363.013547. Its IUPAC name is called 6-(6-amino-8-chloropurin-9-yl)-2-hydroxy-2-oxo-4alpha,6,7,7alpha-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol. This chemical's classification codes are Antineoplastic; Antineoplastic agents and Immunologic Factors.

Physical properties of Adenosine, 8-chloro-,cyclic 3',5'-(hydrogen phosphate): (1)#H bond acceptors: 11; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 2.009; (5)Molar Refractivity: 71.64 cm3; (6)Molar Volume: 142.3 cm3; (7)Surface Tension: 149.1 dyne/cm; (8)Density: 2.55 g/cm3; (9)Flash Point: 396.3 °C; (10)Enthalpy of Vaporization: 112.1 kJ/mol; (11)Boiling Point: 731.7 °C at 760 mmHg; (12)Vapour Pressure: 1.77E-22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C2C(C(C(O2)N3C4=C(C(=NC=N4)N)N=C3Cl)O)OP(=O)(O1)O
(2)InChI: InChI=1S/C10H11ClN5O6P/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)
(3)InChIKey: CLLFEJLEDNXZNR-UHFFFAOYSA-N