Name: 5-Iodo-2-pyrimidinone-2'-deoxyribose
SKU: 93265-81-7

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Basic Information

Molecular Structure:
CAS No.:	93265-81-7
Name:	5-Iodo-2-pyrimidinone-2'-deoxyribose
Article Data:	5

Formula:	C₉H₁₁IN₂O₄
Molecular Weight:	338.102
Synonyms:	1-(2-Deoxy-b-D-ribofuranosyl)-5-iodo-2-pyrimidinone;IPdR;Ropidoxuridine;
Density:	2.22 g/cm³
Boiling Point:	478.6 °C at 760 mmHg
Flash Point:	243.3 °C
PSA:	84.58000
LogP:	-0.51140

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Specification

This chemical is called 5-Iodo-2-pyrimidinone-2'-deoxyribose, and its systematic name is 1-(2-deoxy-D-erythro-pentofuranosyl)-5-iodopyrimidin-2(1H)-one. With the molecular formula of C₉H₁₁IN₂O₄, its molecular weight is 338.10. The CAS registry number of this chemical is 93265-81-7, and its classification code is Treatment of Cancer.

Other characteristics of the 5-Iodo-2-pyrimidinone-2'-deoxyribose can be summarised as followings: (1)ACD/LogP: -0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): -0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.92; (8)ACD/KOC (pH 7.4): 21.92; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 60.36 Å²; (13)Index of Refraction: 1.759; (14)Molar Refractivity: 62.52 cm³; (15)Molar Volume: 151.9 cm³; (16)Polarizability: 24.78×10^-24cm³; (17)Surface Tension: 73.5 dyne/cm; (18)Density: 2.22 g/cm³; (19)Flash Point: 243.3 °C; (20)Enthalpy of Vaporization: 85.61 kJ/mol; (21)Boiling Point: 478.6 °C at 760 mmHg; (22)Vapour Pressure: 3.6E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: IC=1\C=N/C(=O)N(C=1)C2O[C@@H]([C@@H](O)C2)CO
2.InChI: InChI=1/C9H11IN2O4/c10-5-2-11-9(15)12(3-5)8-1-6(14)7(4-13)16-8/h2-3,6-8,13-14H,1,4H2/t6-,7+,8?/m0/s1
3.InChIKey: XIJXHOVKJAXCGJ-KJFJCRTCBX
4.Std. InChI: InChI=1S/C9H11IN2O4/c10-5-2-11-9(15)12(3-5)8-1-6(14)7(4-13)16-8/h2-3,6-8,13-14H,1,4H2/t6-,7+,8?/m0/s1
5.Std. InChIKey: XIJXHOVKJAXCGJ-KJFJCRTCSA-N