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CAS No.: | 1147-23-5 |
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Name: | 5-Iodocytidine |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C9H12IN3O5 |
Molecular Weight: | 369.116 |
Synonyms: | 5-iodo-cytidine; 1-D-Ribofuranosyl-5-iodocytosine; 5-IC; iodocytidine; 5-Jod-cytidin; 5-Iodo-cytidine; 5-Iodo-D-cytidine; 5-Iodcytidin; 查看更多英文别名 收起 |
EINECS: | 201-850-7 |
Density: | 2.527 g/cm3 |
Boiling Point: | 565.461 °C at 760 mmHg |
Flash Point: | 295.78 °C |
Safety: | 24/25 |
PSA: | 130.83000 |
LogP: | -1.37720 |
The CAS register number of 5-Iodocytidine is 1147-23-5. It also can be called as Cytidine, 5-iodo- and the systematic name about this chemical is 4-amino-1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-iodotetrahydrofuran-2-yl]pyrimidin-2(1H)-one (non-preferred name). The molecular formula about this chemical is C9H12IN3O5 and the molecular weight is 369.11. It belongs to the following product categories which include 5-FOA; Bases & Related Reagents; Nucleotides and so on.
Physical properties about 5-Iodocytidine are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 18.67; (5)ACD/KOC (pH 7.4): 18.68; (6)#H bond acceptors: 8; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 128.61Å2; (10)Index of Refraction: 1.818; (11)Molar Refractivity: 65.82 cm3; (12)Molar Volume: 151.4 cm3; (13)Polarizability: 26.09x10-24cm3; (14)Surface Tension: 94.9 dyne/cm; (15)Enthalpy of Vaporization: 98.75 kJ/mol; (16)Boiling Point: 573.8 °C at 760 mmHg; (17)Vapour Pressure: 1.47E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N/C1=N/C(=O)N(/C=C1)[C@]2(I)O[C@H](CO)[C@@H](O)[C@H]2O
(2)InChI: InChI=1/C9H12IN3O5/c10-9(7(16)6(15)4(3-14)18-9)13-2-1-5(11)12-8(13)17/h1-2,4,6-7,14-16H,3H2,(H2,11,12,17)/t4-,6-,7-,9+/m1/s1
(3)InChIKey: USMRZIGXPBAUAW-HCWSKCQFBD
(4)Std. InChI: InChI=1S/C9H12IN3O5/c10-9(7(16)6(15)4(3-14)18-9)13-2-1-5(11)12-8(13)17/h1-2,4,6-7,14-16H,3H2,(H2,11,12,17)/t4-,6-,7-,9+/m1/s1
(5)Std. InChIKey: USMRZIGXPBAUAW-HCWSKCQFSA-N