CAS No.10300-22-8,3'-O-Methyl-D-adenosine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10300-22-8
Name:	3'-O-Methyl-D-adenosine
Article Data:	19

Formula:	C₁₁H₁₅N₅O₄
Molecular Weight:	281.271
Synonyms:	3'-O-Methyladenosine;NSC 103062;
Density:	1.84 g/cm³
Melting Point:	177-178 °C
Boiling Point:	623.8 °C at 760 mmHg
Flash Point:	331 °C
PSA:	128.54000
LogP:	-0.74470

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Specification

The Adenosine, 3'-O-methyl-(7CI,8CI,9CI), with the CAS registry number 10300-22-8, is also known as 3'-O-Methyl adenosine. This chemical's molecular formula is C₁₁H₁₅N₅O₄and molecular weight is 281.2679. What's more, its IUPAC name is (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-methoxyoxolan-3-ol.

Physical properties about Adenosine, 3'-O-methyl-(7CI,8CI,9CI) are: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1.1; (6)ACD/BCF (pH 7.4): 1.12; (7)ACD/KOC (pH 5.5): 37.2; (8)ACD/KOC (pH 7.4): 37.68; (9)#H bond acceptors: 9; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 83.76 Å²; (13)Index of Refraction: 1.794; (14) Molar Refractivity: 64.92 cm³; (15)Molar Volume: 152.5 cm³; (16) Polarizability: 25.73×10^-24cm³; (17)Surface Tension: 80.7 dyne/cm; (18)Density: 1.84 g/cm³; (19)Flash Point: 331 °C; (20)Enthalpy of Vaporization: 97.11 kJ/mol; (21)Boiling Point: 623.8 °C at 760 mmHg; (22)Vapour Pressure: 2.02E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2c1c(ncnc1n(c2)[C@@H]3O[C@@H]([C@@H](OC)[C@H]3O)CO)N
(2) InChI: InChI=1/C11H15N5O4/c1-19-8-5(2-17)20-11(7(8)18)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
(3) InChIKey: RYAFZRROCNNRFK-IOSLPCCCBJ