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6025-53-2

Basic Information
CAS No.: 6025-53-2
Name: Adenosine,N-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-
Molecular Structure:
Molecular Structure of 6025-53-2 (Adenosine,N-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-)
Formula: C15H21N5O5
Molecular Weight: 351.36
Synonyms: Adenosine,N-(4-hydroxy-3-methyl-2-butenyl)-, (E)- (8CI);Adenosine,N-[(2E)-4-hydroxy-3-methyl-2-butenyl]- (9CI);Zeatin riboside (7CI);6-(4-Hydroxy-3-methyl-trans-2-butenylamino)-9-b-D-ribofuranosylpurine;9-Ribosyl-trans-zeatin;9-b-D-Ribofuranosylzeatin;N6-(4-Hydroxy-3-methylbut-2-trans-enyl)adenosine;N6-(trans-4-Hydroxy-3-methylbut-2-enyl)adenosine;Ribosyl-trans-zeatin;Zeatin 9-riboside;Zeatin 9-b-ribonucleoside;Zeatin ribonucleoside;Zeatin-9-b-D-ribofuranoside;trans-Zeatinriboside;trans-Zeatin-9-riboside;
EINECS: 2017-001-1
Density: 1.65 g/cm3
Melting Point: 176-179 °C
Boiling Point: 731.8 °C at 760 mmHg
Flash Point: 396.4 °C
Solubility: Acetic acid: 50 mg/mL
Appearance: white to off-white crystalline powder
Hazard Symbols:
Risk Codes:
Safety: 24/25
Transport Information:
PSA: 145.78000
LogP: -1.13870
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Specification

The IUPAC name of trans-Zeatin-riboside is (2R,3R,4S,5S)-2-(hydroxymethyl)-5-[4-[(4-hydroxy-3-methylbut-2-enyl)amino]imidazo[4,5-d]pyridazin-1-yl]oxolane-3,4-diol. With the CAS registry number 6025-53-2, it is also named as (E)-N-(4-Hydroxy-3-methyl-2-butenyl)adenosine. The product's categories are Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides. Besides, it is off white powder, which should be stored in sealed, dark and dry place at -20 °C. When you are using this chemical, please avoid contact with skin and eyes. In addition, its molecular formula is C15H21N5O5 and molecular weight is 351.36. This chemical is a well-known, highly active stimulant of cell divisions in plant tissue cultures.

The other characteristics of trans-Zeatin-riboside can be summarized as: (1)ACD/LogP: -1.67; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.68; (4)ACD/LogD (pH 7.4): -1.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.89; (8)ACD/KOC (pH 7.4): 2.94; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.728; (13)Molar Refractivity: 84.81 cm3; (14)Molar Volume: 212.8 cm3; (15)Surface Tension: 70.3 dyne/cm; (16)Density: 1.65 g/cm3; (17)Flash Point: 396.4 °C; (18)Melting Point: 176-179 °C; (19)Solubility: Acetic acid: 50 mg/mL; (20)Enthalpy of Vaporization: 112.1 kJ/mol; (21)Boiling Point: 731.8 °C at 760 mmHg; (22)Vapour Pressure: 1.77E-22 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: n2c1c(ncnc1NC\C=C(/C)CO)n(c2)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO
(2)InChI: InChI=1/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1
(3)InChIKey: GOSWTRUMMSCNCW-HNNGNKQABP

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