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| CAS No.: | 653-63-4 |
|---|---|
| Name: | 2'-Deoxyadenosine 5'-phosphate |
| Article Data: | 27 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H14N5O6P |
| Molecular Weight: | 331.225 |
| Synonyms: | Adenosine,2'-deoxy-, 5'-(dihydrogen phosphate) (6CI,8CI);2'-Deoxy-5'-AMP;2'-Deoxy-5'-adenylic acid;2'-Deoxy-AMP;2'-Deoxyadenosine 5'-monophosphate;2'-Deoxyadenosine 5'-phosphate;2'-Deoxyadenosine monophosphate;2'-Deoxyadenylic acid;5'-dAMP;Deoxy-AMP;Deoxyadenosine 5'-monophosphate;Deoxyadenosine 5'-phosphate;Deoxyadenosine monophosphate;Deoxyadenylic acid;NSC 77680;NSC 82625;dAMP; |
| EINECS: | 211-503-1 |
| Density: | 2.174 g/cm3 |
| Melting Point: | 148 °C |
| Boiling Point: | 753.527 °C at 760 mmHg |
| Flash Point: | 409.518 °C |
| Solubility: | Soluble in 1N ammonium hhydroxide (50 mg/ml) and water. |
| Appearance: | Crystalline |
| Hazard Symbols: |
 Xi;  Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 175.65000 |
| LogP: | -0.25260 |
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Chemistry
Molecular Structure of 5'-Adenylic acid,2'-deoxy- (CAS NO.653-63-4):
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IUPAC Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Empirical Formula: C10H14N5O6P
Molecular Weight: 331.2218
H bond acceptors: 11
H bond donors: 5
Freely Rotating Bonds: 5
Polar Surface Area: 119.87 Å2
Index of Refraction: 1.867
Molar Refractivity: 69.05 cm3
Molar Volume: 152.3 cm3
Surface Tension: 125.4 dyne/cm
Density: 2.17 g/cm3
Flash Point: 409.5 °C
Enthalpy of Vaporization: 115.22 kJ/mol
Boiling Point: 753.5 °C at 760 mmHg
Vapour Pressure: 7.39E-24 mmHg at 25°C
Melting point: 148 °C
Storage temp. −20°C
InChI
InChI=1/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
Smiles
n1(c2c(c(ncn2)N)nc1)[C@@H]1O[C@H](COP(O)(O)=O)[C@H](C1)O
EINECS: 211-503-1
Product Categories: Pyridines, Pyrimidines, Purines and Pteredines; Nucleic acids
Safety Profile
Hazard Codes: 
Xn,
Xi
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Specification
5'-Adenylic acid,2'-deoxy- , with CAS number of 653-63-4, can be called 2'-Deoxy-5'-adenylic acid ; 2'-Deoxy-AMP ; 2'-Deoxyadenosine 5'-phosphate ; 2'-Deoxyadenosine monophosphate ; 2'-Deoxyadenylic acid ; Deoxy-5'-adenylic acid ; Deoxyadenosine 5'-monophosphate ; Deoxyadenosine 5'-phosphate ; Deoxyadenylic acid . It is a crystalline.