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5-Methyl-2'-deoxycytidine

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Name

5-Methyl-2'-deoxycytidine

EINECS 212-655-1
CAS No. 838-07-3 Density 1.64 g/cm3
Solubility Melting Point 217-219 °C(lit.)
Formula C10H15N3O4 Boiling Point 492.8 °C at 760 mmHg
Molecular Weight 241.24 Flash Point 251.9 °C
Transport Information Appearance white solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 838-07-3 (Cytidine,2'-deoxy-5-methyl-) Hazard Symbols IrritantXi
Synonyms

2'-Deoxy-5-methylcytidine;5-Methyldeoxycytidine;

 

5-Methyl-2'-deoxycytidine Specification

The 5-Methyl-2'-deoxycytidine, with the CAS registry number 838-07-3, is also known as 2'-Deoxy-5-methylcytidine. It belongs to the product categories of Biochemistry; Nucleosides and Their Analogs; Nucleosides, Nucleotides & Related Reagents; Bases & Related Reagents; Heterocycles; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals. Its EINECS registry number is 212-655-1. This chemical's molecular formula is C10H15N3O4 and molecular weight is 241.24. What's more, its IUPAC name is called 4-Amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one. It should be stored in a sealed place and kept at -20 °C. It can be used as a cytidine (C998300) analog and also an isostere of Thymidine (T412000).

Physical properties about 5-Methyl-2'-deoxycytidine are: (1)ACD/LogP: -1.071; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.11; (4)ACD/LogD (pH 7.4): -1.07; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 5.69; (8)ACD/KOC (pH 7.4): 6.22; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 108.38 Å2; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 56.215 cm3; (15)Molar Volume: 146.369 cm3; (16)Surface Tension: 68.15 dyne/cm; (17)Density: 1.648 g/cm3; (18)Flash Point: 251.85 °C; (19)Enthalpy of Vaporization: 87.528 kJ/mol; (20)Boiling Point: 492.822 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/N=C(/N)\C(=C/N1[C@@H]2O[C@@H]([C@@H](O)C2)CO)C
(2) InChI: InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6-,7+,8+/m0/s1
(3) InChIKey: LUCHPKXVUGJYGU-XLPZGREQSA-N

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