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CAS No.: | 362-75-4 |
---|---|
Name: | 2',3'-O-Isopropylideneadenosine |
Article Data: | 114 |
Molecular Structure: | |
Formula: | C13H17N5O4 |
Molecular Weight: | 307.309 |
Synonyms: | Adenosine, 2',3'-O-(l-methylethylidene)-; |
EINECS: | 206-650-3 |
Density: | 1.8 g/cm3 |
Melting Point: | 221-222 °C(lit.) |
Boiling Point: | 570.5 °C at 760 mmHg |
Flash Point: | 298.8 °C |
Appearance: | Crystalline |
Safety: | 22-24/25 |
PSA: | 117.54000 |
LogP: | 0.39950 |
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The 2',3'-O-Isopropylideneadenosine, with the CAS registry number 362-75-4 and EINECS registry number 206-650-3, has the systematic name of 2',3'-O-(1-methylethylidene)adenosine. And the molecular formula of the chemical is C13H17N5O4. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of 2',3'-O-Isopropylideneadenosine are as followings: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 4.41; (6)ACD/BCF (pH 7.4): 4.44; (7)ACD/KOC (pH 5.5): 100.55; (8)ACD/KOC (pH 7.4): 101.19; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 83.76 Å2; (13)Index of Refraction: 1.797; (14)Molar Refractivity: 72.47 cm3; (15)Molar Volume: 169.9 cm3; (16)Polarizability: 28.73×10-24cm3; (17)Surface Tension: 75.3 dyne/cm; (18)Density: 1.8 g/cm3; (19)Flash Point: 298.8 °C; (20)Enthalpy of Vaporization: 90.01 kJ/mol; (21)Boiling Point: 570.5 °C at 760 mmHg; (22)Vapour Pressure: 7.48E-14 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O1[C@@H]([C@H]4OC(O[C@H]4[C@@H]1n2c3ncnc(N)c3nc2)(C)C)CO
(2)InChI: InChI=1/C13H17N5O4/c1-13(2)21-8-6(3-19)20-12(9(8)22-13)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19H,3H2,1-2H3,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
(3)InChIKey: LCCLUOXEZAHUNS-WOUKDFQIBS