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(+)-3',5'-O-(1,1,3,3-Tetraisopropyl-1,3-disiloxanediyl)cytidine (69304-42-3)

Identification
Name:(+)-3',5'-O-(1,1,3,3-Tetraisopropyl-1,3-disiloxanediyl)cytidine
Synonyms:4-amino-1-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidin-2(1H)-one;4-Amino-1-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetraisopropyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidin-2(1H)-one;
CAS:69304-42-3
Molecular Formula: C21H39N3O6Si2
Molecular Weight: 485.72
InChI: InChI=1/C21H39N3O6Si2/c1-12(2)31(13(3)4)27-11-16-19(29-32(30-31,14(5)6)15(7)8)18(25)20(28-16)24-10-9-17(22)23-21(24)26/h9-10,12-16,18-20,25H,11H2,1-8H3,(H2,22,23,26)/t16-,18-,19-,20-/m1/s1
Molecular Structure: (C21H39N3O6Si2) 4-amino-1-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)tetrahydro-6H-furo[3,2-f][1,3,5,2,4]t...
Properties
Melting Point: 248-250 °C(lit.)
Flash Point: 266.9°C
Boiling Point: 517.7°C at 760 mmHg
Density:1.24g/cm3
Refractive index:1.553
Specification:

The (+)-3',5'-O-(1,1,3,3-Tetraisopropyl-1,3-disiloxanediyl)cytidine, with the CAS registry number 69304-42-3, has the systematic name of 4-amino-1-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidin-2(1H)-one. And the molecular formula of the chemical is C21H39N3O6Si2.

The characteristics of (+)-3',5'-O-(1,1,3,3-Tetraisopropyl-1,3-disiloxanediyl)cytidine are as followings: (1)#H bond acceptors: 9; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 82.06 Å2; (5)Index of Refraction: 1.553; (6)Molar Refractivity: 124.66 cm3; (7)Molar Volume: 389 cm3; (8)Polarizability: 49.42×10-24cm3; (9)Surface Tension: 33.7 dyne/cm; (10)Density: 1.24 g/cm3; (11)Flash Point: 266.9 °C; (12)Enthalpy of Vaporization: 90.92 kJ/mol; (13)Boiling Point: 517.7 °C at 760 mmHg; (14)Vapour Pressure: 7.01E-13 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1/N=C(/N)\C=C/N1[C@@H]2O[C@@H]3CO[Si](O[Si](O[C@H]3[C@H]2O)(C(C)C)C(C)C)(C(C)C)C(C)C
(2)InChI: InChI=1/C21H39N3O6Si2/c1-12(2)31(13(3)4)27-11-16-19(29-32(30-31,14(5)6)15(7)8)18(25)20(28-16)24-10-9-17(22)23-21(24)26/h9-10,12-16,18-20,25H,11H2,1-8H3,(H2,22,23,26)/t16-,18-,19-,20-/m1/s1
(3)InChIKey: KPNSXQNKDQMBAW-VBSBHUPXBM

Flash Point: 266.9°C
Safety Data
 

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