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40733-28-6

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Basic Information
CAS No.: 40733-28-6
Name: 5'-O-TERT-BUTYLDIMETHYLSILYL-THYMIDINE
Article Data: 2
Molecular Structure:
Molecular Structure of 40733-28-6 (5'-O-TERT-BUTYLDIMETHYLSILYL-THYMIDINE)
Formula: C16H28N2O5Si
Molecular Weight: 356.494
Synonyms: 5'-O-tert-Butyldimethylsilylthymidine;
Density: 1.148 g/cm3
Melting Point: 198 °C
Boiling Point: 497.4oC at 760mmHg
Flash Point: 254.6oC
Hazard Symbols: Xi
PSA: 93.55000
LogP: 1.51520
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Specification

This chemical is called Thymidine, 5'-O-[(1,1-dimethylethyl)dimethylsilyl]-, and its CAS registry number is 40733-28-6. With the molecular formula of C16H28N2O5Si, its molecular weight is 307.34.

Other characteristics of the Thymidine, 5'-O-[(1,1-dimethylethyl)dimethylsilyl]- can be summarised as followings: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.65; (5)#H bond acceptors: 7; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 88.1 Å2; (9)Index of Refraction: 1.507; (10)Molar Refractivity: 92.53 cm3; (11)Molar Volume: 310.4 cm3; (12)Polarizability: 36.68×10-24cm3; (13)Surface Tension: 37.5 dyne/cm; (14)Density: 1.148 g/cm3.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1cn(c(=O)[nH]c1=O)C2CC(C(O2)CO[Si](C)(C)C(C)(C)C)O
2.InChI: InChI=1/C16H28N2O5Si/c1-10-8-18(15(21)17-14(10)20)13-7-11(19)12(23-13)9-22-24(5,6)16(2,3)4/h8,11-13,19H,7,9H2,1-6H3,(H,17,20,21)/t11-,12-,13+/m1/s1 3.InChIKey: IJWIJLIIOKZJMS-UPJWGTAABO