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8-Aminoadenosine

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Name

8-Aminoadenosine

EINECS N/A
CAS No. 3868-33-5 Density 2.25 g/cm3
PSA 165.56000 LogP -1.23540
Solubility N/A Melting Point 180-185 °C
Formula C10H14N6O4 Boiling Point 747.1 °C at 760 mmHg
Molecular Weight 282.259 Flash Point 405.6 °C
Transport Information N/A Appearance N/A
Safety 45 Risk Codes 25
Molecular Structure Molecular Structure of 3868-33-5 (8-AMINOADENOSINE) Hazard Symbols T
Synonyms

8-Aminoadenosine;NSC 90394;9H-Purine,6,8-diamino-9-b-D-ribofuranosyl-(7CI,8CI);

Article Data 8

8-Aminoadenosine Specification

The Adenosine, 8-amino-, with the CAS registry number 3868-33-5, is also known as 8-Aminoadenosine. It belongs to the product categories of Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides. This chemical's molecular formula is C10H14N6O4 and molecular weight is 282.26. Its IUPAC name is called (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol. What's more, this chemical can be used as the purine nucleoside analog.

Physical properties of Adenosine, 8-amino-: (1)ACD/LogP: -2.19; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -2.48; (4)ACD/LogD (pH 7.4): -2.19; (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): 1.52; (9)#H bond acceptors: 10; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.985; (13)Molar Refractivity: 61.87 cm3; (14)Molar Volume: 124.9 cm3; (15)Surface Tension: 127.6 dyne/cm; (16)Density: 2.25 g/cm3; (17)Flash Point: 405.6 °C; (18)Enthalpy of Vaporization: 114.29 kJ/mol; (19)Boiling Point: 747.1 °C at 760 mmHg; (20)Vapour Pressure: 1.93E-23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)N
(2)Isomeric SMILES: C1=NC2=C(C(=N1)N)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
(3)InChI: InChI=1S/C10H14N6O4/c11-7-4-8(14-2-13-7)16(10(12)15-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,15)(H2,11,13,14)/t3-,5-,6-,9-/m1/s1
(4)InChIKey: DVGWFQILDUEEGX-UUOKFMHZSA-N

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