CAS No.2140-11-6,2',3'-O-Isopropylideneinosine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2140-11-6
Name:	2',3'-O-Isopropylideneinosine
Article Data:	33

Formula:	C₁₃H₁₆N₄O₅
Molecular Weight:	308.294
Synonyms:	2',3'-isopropylideneinosine;9-[4-(hydroxymethyl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]oct-2-yl]-3H-purin-6-one;2,3-Isopropylideneinosine;9-[(1R,2R,4R,5R)-4-(hydroxymethyl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]oct-2-yl]-3H-purin-6-one;
EINECS:	218-388-7
Density:	1.89 g/cm³
Melting Point:	263-272 °C
Boiling Point:	606.4 °C at 760 mmHg
Flash Point:	316.9 °C
Appearance:	White solid
Safety:	24/25
PSA:	111.49000
LogP:	-0.47060

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Specification

The 2',3'-O-Isopropylideneinosine, with the CAS registry number 2140-11-6 and EINECS registry number 218-388-7, has the IUPAC name of 9-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3H-purin-6-one. It is a kind of white solid, and belongs to the following product categories: Biochemistry; Nucleosides and their analogs; Nucleosides, Nucleotides & Related Reagents; Bases & Related Reagents. And the molecular formula of the chemical is C₁₃H₁₆N₄O₅. What's more, it is a useful precursor for the preparation of nucleic acids.

The physical properties of 2',3'-O-Isopropylideneinosine are as followings: (1)# of Rule of 5 Violations: 0 ; (2)#H bond acceptors: 9; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 133.75 Å²; (6)Index of Refraction: 1.828; (7)Molar Refractivity: 71.4 cm³; (8)Molar Volume: 162.7 cm³; (9)Polarizability: 28.3×10^-24cm³; (10)Surface Tension: 90.4 dyne/cm; (11)Density: 1.89 g/cm³; (12)Flash Point: 316.9 °C; (13)Enthalpy of Vaporization: 93.97 kJ/mol; (14)Boiling Point: 600.4 °C at 760 mmHg; (15)Vapour Pressure: 2.91E-15 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed, and there's limited evidence of a carcinogenic effect. Therefore, you had better take the following instructions: Do not breathe dust, and wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2ncnc1n(cnc12)[C@@H]3O[C@H](CO)[C@]4(O)C(C)(C)[C@]34O
(2)InChI: InChI=1/C13H16N4O5/c1-11(2)12(20)6(3-18)22-10(13(11,12)21)17-5-16-7-8(17)14-4-15-9(7)19/h4-6,10,18,20-21H,3H2,1-2H3,(H,14,15,19)/t6-,10-,12+,13-/m1/s1
(3)InChIKey: UJEJQRXYNQBCMG-GDQJLZBOBN