CAS No.24386-93-4,5-IODOTUBERCIDIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	24386-93-4
Name:	5-IODOTUBERCIDIN
Article Data:	8

Formula:	C₁₁H₁₃IN₄O₄
Molecular Weight:	392.153
Synonyms:	7H-Pyrrolo[2,3-d]pyrimidine,4-amino-5-iodo-7-b-D-ribofuranosyl-(8CI);4-Amino-5-iodo-7-b-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine;4-Amino-5-iodo-7-b-D-ribofuranosylpyrrolo[2,3-d]pyrimidine;7-Iodotubercidin;NSC 113939;
EINECS:	200-001-2
Density:	2.495 g/cm³
Melting Point:	216-217 °C
Boiling Point:	701.5 °C at 760 mmHg
Flash Point:	378 °C
Solubility:	0.1 M HCl: 0.7 mg/mL
Appearance:	Tan solid
PSA:	126.65000
LogP:	-0.18920

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Specification

The 5-Iodotubercidin, with the CAS registry number 24386-93-4, is also known as 7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 5-iodo-7-beta-D-ribofuranosyl-. It belongs to the product categories of Miscellaneous Natural Products; Bases & Related Reagents; Inhibitors; Nucleotides; Protein Kinase Inhibitors and Activators. This chemical's molecular formula is C₁₁H₁₃IN₄O₄ and molecular weight is 392.15. Its IUPAC name is called 2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol. This chemical's classification code is Enzyme inhibitors. This chemical is tan solid which can be used as an analogue of the antibiotic tubercidin. It also can be used as a pyrrolo[2,3-d]pyrimidine nucleoside antibiotic and a potent inhibitor of adenosine kinase from rat or guinea pig brain.

Physical properties of 5-Iodotubercidin: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.25; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.31; (8)ACD/KOC (pH 7.4): 32.92; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.918; (13)Molar Refractivity: 74.16 cm³; (14)Molar Volume: 157.1 cm³; (15)Surface Tension: 97.9 dyne/cm; (16)Density: 2.49 g/cm³; (17)Flash Point: 378 °C; (18)Enthalpy of Vaporization: 107.82 kJ/mol; (19)Boiling Point: 701.5 °C at 760 mmHg; (20)Vapour Pressure: 1.18E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2N)I
(2)InChI: InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)
(3)InChIKey: WHSIXKUPQCKWBY-UHFFFAOYSA-N