Adenosine,5'-S-(2-methylpropyl)-5'-thio- supplier

Name
5'-ISOBUTYLTHIO-5'-DEOXYADENOSINE
EINECS
CAS No. 35899-54-8
Article Data3
CAS DataBase
Density 1.63 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₁N₅O₃S
Boiling Point 631.2 °C at 760 mmHg
Molecular Weight 339.418
Flash Point 335.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5'-Deoxy-5'-S-isobutylthioadenosine;5'-Deoxy-5'-isobutylthioadenosine;5'-Isobutylthioadenosine;5'-S-Isobutylthioadenosine;SIBA;
PSA 144.61000
LogP 0.99810

Adenosine,5'-S-(2-methylpropyl)-5'-thio- Specification

The Adenosine,5'-S-(2-methylpropyl)-5'-thio-, with the CAS registry number 35899-54-8, is also known as 5'-S-Isobutyl-5'-thioadenosine. This chemical's molecular formula is C₁₄H₂₁N₅O₃S and molecular weight is 339.4132. What's more, its IUPAC name is (2R,3R,4S,5S)-2-(6-Aminopurin-9-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol. Besides, It's classification codes are Anti-infective Agents; Antimalarials; Antineoplastic Agents; Antiparasitic Agents; Antiprotozoal Agents.

Physical properties about Adenosine,5'-S-(2-methylpropyl)-5'-thio- are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 22.12; (6)ACD/BCF (pH 7.4): 22.38; (7)ACD/KOC (pH 5.5): 318.18; (8)ACD/KOC (pH 7.4): 321.99; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 99.83 Å²; (13)Index of Refraction: 1.752; (14)Molar Refractivity: 84.98 cm³; (15)Molar Volume: 207.9 cm³; (16)Polarizability: 33.69×10^-24cm³; (17)Surface Tension: 67.4 dyne/cm; (18)Density: 1.63 g/cm³; (19)Flash Point: 335.5 °C; (20)Enthalpy of Vaporization: 98.12 kJ/mol; (21)Boiling Point: 631.2 °C at 760 mmHg; (22)Vapour Pressure: 8.43E-17 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2c1c(ncnc1n(c2)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CSCC(C)C)N
(2) InChI: InChI=1/C14H21N5O3S/c1-7(2)3-23-4-8-10(20)11(21)14(22-8)19-6-18-9-12(15)16-5-17-13(9)19/h5-8,10-11,14,20-21H,3-4H2,1-2H3,(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
(3) InChIKey: JDDUQGRUPLKDNT-IDTAVKCVBH

Product Name

5'-ISOBUTYLTHIO-5'-DEOXYADENOSINE

Adenosine,5'-S-(2-methylpropyl)-5'-thio- Specification

Related Products

Hot Products