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| CAS No.: | 892-48-8 |
|---|---|
| Name: | 5'-CHLORO-5'-DEOXYADENOSINE |
| Molecular Structure: | |
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| Formula: | C10H12ClN5O3 |
| Molecular Weight: | 285.69 |
| Synonyms: | 5'-Chloro-5'-deoxyadenosine;5'-Deoxy-5'-chloroadenosine; |
| Density: | 2.03g/cm3 |
| Melting Point: | 187 °C |
| Boiling Point: | 645.6 °C at 760 mmHg |
| Flash Point: | 344.2 °C |
| PSA: | 119.31000 |
| LogP: | -0.15230 |
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Specification
The Adenosine,5'-chloro-5'-deoxy-, with CAS registry number 892-48-8, has the systematic name of 5'-chloro-5'-deoxyadenosine. Its classification code is Mutation data. And the chemical formula of this chemical is C10H12ClN5O3.What's more, this chemical should be stored at the temperature of 2-8°C.
Physical properties of Adenosine,5'-chloro-5'-deoxy-: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.11; (8)ACD/KOC (pH 7.4): 34.51; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 74.53 Å2; (13)Index of Refraction: 1.87; (14)Molar Refractivity: 63.7 cm3; (15)Molar Volume: 140.1 cm3; (16)Polarizability: 25.25×10-24cm3; (17)Surface Tension: 93.5 dyne/cm; (18)Enthalpy of Vaporization: 100.08 kJ/mol; (19)Vapour Pressure: 1.5E-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O
(2)InChI: InChI=1/C10H12ClN5O3/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,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
(3)InChIKey: IYSNPOMTKFZDHZ-KQYNXXCUBJ
(4)Std. InChI: InChI=1S/C10H12ClN5O3/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,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
(5)Std. InChIKey: IYSNPOMTKFZDHZ-KQYNXXCUSA-N