CAS No.1022-79-3,5-Bromo-2'-deoxycytidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1022-79-3
Name:	5-Bromo-2'-deoxycytidine
Article Data:	8

Formula:	C₉H₁₂BrN₃O₄
Molecular Weight:	306.116
Synonyms:	5-Bromodeoxycytidine;NSC 61765;4-Amino-5-bromo-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;
EINECS:	213-824-2
Density:	2.13 g/cm³
Boiling Point:	510.81 °C at 760 mmHg
Flash Point:	262.728 °C
Hazard Symbols:	Xn
Risk Codes:	40
Safety:	22-36
PSA:	110.60000
LogP:	-0.19010

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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