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5682-25-7

Basic Information
CAS No.: 5682-25-7
Name: 9-ALPHA-RIBOFURANOSYLADENINE
Article Data: 10
Molecular Structure:
Molecular Structure of 5682-25-7 (9-ALPHA-RIBOFURANOSYLADENINE)
Formula: C10H13N5O4
Molecular Weight: 267.244
Synonyms: Adenine,9-a-D-ribofuranosyl- (6CI,8CI);9-a-Adenosine;9-a-D-Ribofuranosyladenine;Adenine-a-D-ribofuranoside;Adenosine, a-;a-Adenosine;a-D-Adenosine;a-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-;
Density: 2.08 g/cm3
Melting Point: 205-207 °C(lit.)
Boiling Point: 676.3 °C at 760 mmHg
Flash Point: 362.8 °C
Hazard Symbols: T
Risk Codes: 25
Safety: 45
PSA: 139.54000
LogP: -1.39880
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Specification

The 9H-Purin-6-amine, 9-a-D-ribofuranosyl-, with the CAS registry number 5682-25-7, is also known as 9-a-D-Ribofuranosyladenine. This chemical's molecular formula is C10H13N5O4 and molecular weight is 267.24. What's more, its systematic name is Adenosine and its storage temperature is -20 °C.

Physical properties of 9H-Purin-6-amine, 9-a-D-ribofuranosyl- are: (1)ACD/LogP: -1.03; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 9; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 83.76 Å2; (7)Index of Refraction: 1.907; (8)Molar Refractivity: 59.95 cm3; (9)Molar Volume: 128.1 cm3; (10)Polarizability: 23.76×10-24 cm3; (11)Surface Tension: 107.6 dyne/cm; (12)Density: 2.08 g/cm3; (13)Flash Point: 362.8 °C; (14)Enthalpy of Vaporization: 104.3 kJ/mol; (15)Boiling Point: 676.3 °C at 760 mmHg; (16)Vapour Pressure: 3.26E-19 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)CO)N
(2)InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10+/m1/s1
(3)InChIKey: OIRDTQYFTABQOQ-CRKDRTNXSA-N