SpectraBase Spectrum ID |
KNQ4s0pLRoP |
Name |
(2R,4R)-4-(6-Amino-8-bromo-purin-9-yl)-2-hydroxymethyl-cyclopentanol |
Alternate Name(s) |
8-Bromo-2'-deoxycarbaguanosine |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C11H14BrN5O2 |
InChI |
InChI=1S/C11H14BrN5O2/c12-11-16-8-9(13)14-4-15-10(8)17(11)6-1-5(3-18)7(19)2-6/h4-7,18-19H,1-3H2,(H2,13,14,15)/t5-,6-,7+/m1/s1 |
InChIKey |
AGPGQJNODJHOGO-QYNIQEEDSA-N |
Molecular Weight |
328.170 g/mol |
SMILES |
Nc1ncnc2c1nc([n]2[C@@]1(C[C@](CO)([C@](C1)(O)[H])[H])[H])Br |
SPLASH |
splash10-004i-0009000000-ded0a8845ec75fe4f497 |
Source of Spectrum |
CRT-11-197-20 |
Wiley ID |
1709784 |