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14365-44-7

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Basic Information
CAS No.: 14365-44-7
Name: 5'-AMINOADENOSINE
Article Data: 11
Molecular Structure:
Molecular Structure of 14365-44-7 (5'-AMINOADENOSINE)
Formula: C10H14N6O3
Molecular Weight: 266.26
Synonyms: 5'-Amino-5'-deoxyadenosine;5'-Deoxy-5'-aminoadenosine;NSC 238990;
Density: 2.08 g/cm3
Boiling Point: 647.6 °C at 760 mmHg
Flash Point: 345.4 °C
PSA: 145.33000
LogP: -0.73210
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Specification

The Adenosine,5'-amino-5'-deoxy-, with the CAS registry number 14365-44-7, is also known as 5'-Deoxy-5'-aminoadenosine. This chemical's molecular formula is C10H14N6O3 and molecular weight is 266.25656. Its systematic name is called 5'-amino-5'-deoxyadenosine.

Physical properties of Adenosine,5'-amino-5'-deoxy-: (1)ACD/LogP: -1.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -3; (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; (9)#H bond acceptors: 9; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.936; (13)Molar Refractivity: 61.022 cm3; (14)Molar Volume: 127.662 cm3; (15)Surface Tension: 110.92 dyne/cm; (16)Density: 2.086 g/cm3; (17)Flash Point: 345.44 °C; (18)Enthalpy of Vaporization: 100.346 kJ/mol; (19)Boiling Point: 647.573 °C at 760 mmHg; (20)Vapour Pressure: 0 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)CN)N
(2)InChI: InChI=1/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
(3)InChIKey: GVSGUDGNTHCZHI-KQYNXXCUBU