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Home Other Building Blocks 2',3',5'-Triacetylinosine

2',3',5'-Triacetylinosine

CAS No.:
3181-38-2
Catalog Number:
AG003BOB
Molecular Formula:
C16H18N4O8
Molecular Weight:
394.3361
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$30
- +
25g
98%
In Stock USA
United States
$100
- +
100g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG003BOB
Chemical Name:
2',3',5'-Triacetylinosine
CAS Number:
3181-38-2
Molecular Formula:
C16H18N4O8
Molecular Weight:
394.3361
MDL Number:
MFCD00038617
IUPAC Name:
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate
InChI:
InChI=1S/C16H18N4O8/c1-7(21)25-4-10-12(26-8(2)22)13(27-9(3)23)16(28-10)20-6-19-11-14(20)17-5-18-15(11)24/h5-6,10,12-13,16H,4H2,1-3H3,(H,17,18,24)/t10-,12-,13-,16-/m1/s1
InChI Key:
SFEQTFDQPJQUJM-XNIJJKJLSA-N
SMILES:
CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COC(=O)C
EC Number:
221-669-7
Properties
Complexity:
698  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
394.112g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
394.34g/mol
Monoisotopic Mass:
394.112g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
Title Journal
(15)N Double-labeled guanosine from inosine through ring-opening-ring-closing and one-pot Pd-catalyzed C-O and C-N cross-coupling reactions. The Journal of organic chemistry 20100716
Structure and synthesis of 6-(substituted-imidazol-1-yl)purines: versatile substrates for regiospecific alkylation and glycosylation at N9. The Journal of organic chemistry 20060526
Properties