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| CAS No.: | 20724-73-6 |
|---|---|
| Name: | 2'-C-Methylcytidine |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C10H15N3O5 |
| Molecular Weight: | 257.24 |
| Synonyms: | NM 107; |
| EINECS: | 200-001-2 |
| Density: | 1.72 g/cm3 |
| Melting Point: | 243-245 °C |
| Boiling Point: | 523.9 °C at 760 mmHg |
| Flash Point: | 270.7 °C |
| Appearance: | White to Off-White Powder |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 130.83000 |
| LogP: | -1.59170 |
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Specification
The 2'-C-Methylcytidine is an organic compound with the formula C10H15N3O5. The systematic name of this chemical is 2'-C-methylcytidine. With the CAS registry number 20724-73-6, it is also named as 4-Amino-1-((2R,3R,4R,5R)-3,4-dihydroxy-5-hydroxymethyl-3-methyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one. The product's categories are Bases & Related Reagents; Nucleotides. Besides, it is a white to off-white powder.
Physical properties about 2'-C-Methylcytidine are: (1)ACD/LogP: -0.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.8; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.61; (8)ACD/KOC (pH 7.4): 8.79; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 72.83 Å2; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 57.59 cm3; (15)Molar Volume: 149 cm3; (16)Polarizability: 22.83×10-24cm3; (17)Surface Tension: 76.7 dyne/cm; (18)Density: 1.72 g/cm3; (19)Flash Point: 270.7 °C; (20)Enthalpy of Vaporization: 91.78 kJ/mol; (21)Boiling Point: 523.9 °C at 760 mmHg Vapour; (22)Pressure: 3.63E-13 mmHg at 25°C.
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)[C@]2(O)C)CO
(2)InChI: InChI=1/C10H15N3O5/c1-10(17)7(15)5(4-14)18-8(10)13-3-2-6(11)12-9(13)16/h2-3,5,7-8,14-15,17H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,10-/m1/s1
(3)InChIKey: PPUDLEUZKVJXSZ-VPCXQMTMBV
(4)Std. InChI: InChI=1S/C10H15N3O5/c1-10(17)7(15)5(4-14)18-8(10)13-3-2-6(11)12-9(13)16/h2-3,5,7-8,14-15,17H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,10-/m1/s1
(5)Std. InChIKey: PPUDLEUZKVJXSZ-VPCXQMTMSA-N