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2'-C-Methylcytidine

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Name

2'-C-Methylcytidine

EINECS 200-001-2
CAS No. 20724-73-6 Density 1.72 g/cm3
PSA 130.83000 LogP -1.59170
Solubility N/A Melting Point 243-245 °C
Formula C10H15N3O5 Boiling Point 523.9 °C at 760 mmHg
Molecular Weight 257.24 Flash Point 270.7 °C
Transport Information N/A Appearance White to Off-White Powder
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 20724-73-6 (2'-C-Methylcytidine) Hazard Symbols Xi
Synonyms

NM 107;

Article Data 1

2'-C-Methylcytidine 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

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