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| CAS No.: | 1032-65-1 |
|---|---|
| Name: | 2'-Deoxycytidine-5'-monophosphoric acid |
| Article Data: | 35 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H14N3O7P |
| Molecular Weight: | 307.2 |
| Synonyms: | Cytidine,2'-deoxy-, 5'-(dihydrogen phosphate) (8CI);Cytidine, 2'-deoxy-, 5'-phosphate(7CI);Cytidine, 2'-deoxy-, phosphate (6CI);2'-Deoxy-5'-cytidylic acid;2'-Deoxycytidine 5'-phosphate;2'-Deoxycytidine-5'-monophosphate;2'-Deoxycytidylic acid;5'-Deoxycytidylic acid;Deoxy-CMP;Deoxycytidine5'-phosphate;Deoxycytidine monophosphate;Deoxycytidine-5'-monophosphate; |
| EINECS: | 213-849-9 |
| Density: | 2.01 g/cm3 |
| Melting Point: | 169-172 °C (dec.) |
| Boiling Point: | 633.8 °C at 760 mmHg |
| Flash Point: | 337.1 °C |
| Solubility: | H2O: 10 mg/mL, clear, colorless |
| Appearance: | White fine crystals |
| Hazard Symbols: |
 Xn;  Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 22-24/25-37/39-36-26 |
| PSA: | 166.94000 |
| LogP: | -0.83560 |
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Specification
The 5'-Cytidylic acid,2'-deoxy-, with CAS registry number 1032-65-1, belongs to the following product categories: (1)Pyridines, Pyrimidines, Purines and Pteredines; (2)Biochemistry; (3)Nucleosides, Nucleotides & Related Reagents; (4)Nucleotides and their analogs; (5)Nucleic acids. It has the systematic name of 2'-deoxy-5'-cytidylic acid. This chemical should be stored at the temperature of 2-8°C.
Physical properties of 5'-Cytidylic acid,2'-deoxy-: (1)# of Rule of 5 Violations: 2; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 10; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 164.72 Å2; (10)Index of Refraction: 1.743; (11)Molar Refractivity: 61.742 cm3; (12)Molar Volume: 152.674 cm3; (13)Polarizability: 24.476×10-24cm3; (14)Surface Tension: 108.058 dyne/cm; (15)Enthalpy of Vaporization: 107.355 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 5'-Cytidylic acid,2'-deoxy- irritates to eyes, respiratory system and skin. This chemical is harmful by inhalation, in contact with skin and if swallowed. You should not breathe dust and avoid contact with skin and eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
(2)InChI: InChI=1/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
(3)InChIKey: NCMVOABPESMRCP-SHYZEUOFBL
(4)Std. InChI: InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
(5)Std. InChIKey: NCMVOABPESMRCP-SHYZEUOFSA-N