CAS No.10414-81-0,2'-Amino-2'-deoxyadenosine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10414-81-0
Name:	2'-Amino-2'-deoxyadenosine
Article Data:	13

Formula:	C₁₀H₁₄N₆O₃
Molecular Weight:	266.26
Synonyms:	2'-Amino-2'-deoxyadenosine;2'-Aminoadenosine;NSC 324326;
Density:	2.08 g/cm³
Melting Point:	190-191 °C
Boiling Point:	657.6 °C at 760 mmHg
Flash Point:	351.5 °C
PSA:	145.33000
LogP:	-0.73210

Total:36 Page 1 of 1 1

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Specification

The IUPAC name of 2'-Amino-2'-deoxyadenosine is 4-Amino-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol. With the CAS registry number 10414-81-0, it is also named as 2'-Deoxy-2'-aminoadenosine. In addition, its molecular formula is C₁₀H₁₄N₆O₃ and its molecular weight is 266.26.

The other characteristics of 2'-Amino-2'-deoxyadenosine can be summarized as: (1)ACD/LogP: -0.95; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.79; (4)ACD/LogD (pH 7.4): -1.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.83; (9)H bond acceptors: 9; (10)H bond donors: 6; (11)Freely Rotating Bonds: 5; (12)Polar Surface Area: 77.77 Å²; (13)Index of Refraction: 1.935; (14)Molar Refractivity: 61.02 cm³; (15)Molar Volume: 127.6 cm³; (16)Polarizability: 24.19×10^-24cm³; (17)Surface Tension: 110.9 dyne/cm; (18)Density: 2.08 g/cm³; (19)Flash Point: 351.5 °C; (20)Enthalpy of Vaporization: 101.72 kJ/mol; (21)Boiling Point: 657.6 °C at 760 mmHg; (22)Vapour Pressure: 3.43E-18 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3N)CO)N
(2)InChI:InChI=1/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)
(3)InChIKey:CQKMBZHLOYVGHW-UHFFFAOYAP
(4)Std. InChI:InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)
(5)Std. InChIKey:CQKMBZHLOYVGHW-UHFFFAOYSA-N