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Structure

n2-Isobutyryl-2'-deoxyguanosine

CAS
68892-42-2
Catalog Number
ACM68892422
Category
Other Products
Molecular Weight
337.33
Molecular Formula
C14H19N5O5

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Specification

Synonyms
N2-Isobutyryl-2-deoxyguanosine, 68892-42-2, ST085106, SIDXEQFMTMICKG-DJLDLDEBSA-, dG-Ibu, InChI=1/C14H19N5O5/c1-6(2)12(22)17-14-16-11-10(13(23)18-14)15-5-19(11)9-3-7(21)8(4-20)24-9/h5-9,20-21H,3-4H2,1-2H3,(H2,16,17,18,22,23)/t7-,8+,9+/m0/s1, AC1LELAE, SureCN264545, KSC628M0L, 58691_ALDRICH, 58691_FLUKA, CTK5C8605, MolPort-003-937-372, ANW-35564, ZINC00056610, AKOS015837632, AG-G-66658, AK-54740, P950, FT-0629722
IUPAC Name
N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
Canonical SMILES
CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)CO)O
InChI Key
SIDXEQFMTMICKG-DJLDLDEBSA-N
Melting Point
>300ºC
Density
1.72 g/cm³
Appearance
White to off-white powder
Exact Mass
337.13900
H-Bond Acceptor
6
H-Bond Donor
4
Safety Description
S22-S24/25
WGK Germany
3
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