5-Bromo-2'-deoxycytidine supplier

Name
5-Bromo-2'-deoxycytidine
EINECS 213-824-2
CAS No. 1022-79-3
Article Data8
CAS DataBase
Density 2.13 g/cm³
Solubility
Melting Point
Formula C₉H₁₂BrN₃O₄
Boiling Point 510.81 °C at 760 mmHg
Molecular Weight 306.116
Flash Point 262.728 °C
Transport Information
Appearance
Safety 22-36
Risk Codes 40
Molecular Structure
Hazard Symbols Xn
Synonyms 5-Bromodeoxycytidine;NSC 61765;4-Amino-5-bromo-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;
PSA 110.60000
LogP -0.19010

5-Bromo-2'-deoxycytidine Specification

The CAS register number of 5-Bromo-2'-deoxycytidine is 1022-79-3. It also can be called as Cytidine,5-bromo-2'-deoxy- and the IUPAC name about this chemical is 4-amino-5-bromo-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one. The molecular formula about this chemical is C₉H₁₂BrN₃O₄and the molecular weight is 306.11. It belongs to the Nucleotides and Nucleic Acids. This chemical can be incorporated into DNA in the presence of DNA polymerase, replacing dCTP.

Physical properties about 5-Bromo-2'-deoxycytidine are: (1)ACD/LogP: -0.98; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 6.97; (5)ACD/KOC (pH 7.4): 6.98; (6)#H bond acceptors: 7; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 63.6Å²; (10)Index of Refraction: 1.763; (11)Molar Refractivity: 59.34 cm³; (12)Molar Volume: 143.7 cm³; (13)Polarizability: 23.52x10^-24cm³; (14)Surface Tension: 82.4 dyne/cm; (15)Flash Point: 262.7 °C; (16)Enthalpy of Vaporization: 89.98 kJ/mol; (17)Boiling Point: 510.8 °C at 760 mmHg; (18)Vapour Pressure: 1.43E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Br\C\1=C\N(C(=O)/N=C/1/N)[C@H]2C[C@H](O)[C@@H](CO)O2
(2)InChI: InChI=1/C9H12BrN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
(3)InChIKey: KISUPFXQEHWGAR-RRKCRQDMBR
(4)Std. InChI: InChI=1S/C9H12BrN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
(5)Std. InChIKey: KISUPFXQEHWGAR-RRKCRQDMSA-N

Product Name

5-Bromo-2'-deoxycytidine

5-Bromo-2'-deoxycytidine Specification

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