Identification
Name |
10-N(2)-Deoxyguanosine-Benzo(a)Pyrene-7,8,9-Triol |
Synonyms |
9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-2-[(7,8,9-Trihydroxy-7,8,9,10-Tetrahydrobenzo[A]Pyren-10-Yl)Amino]-3H-Purin-6-One; 9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-2-[(7,8,9-Trihydroxy-7,8,9,10-Tetrahydrobenzo[A]Pyren-10-Yl)Amino]-3H-Purin-6-One; 9-[(2R,4S,5R)-4-Hydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-2-[(7,8,9-Trihydroxy-7,8,9,10-Tetrahydrobenzo[A]Pyren-10-Yl)Amino]-3H-Purin-6-One |
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Molecular Structure |
 |
Molecular Formula |
C30H27N5O7 |
Molecular Weight |
569.57 |
CAS Registry Number |
62624-73-1 (62698-04-8) |
SMILES |
[C@H]1(O[C@@H]([C@@H](O)C1)CO)[N]2C8=C(N=C2)C(=O)N=C(NC3C4=C(C(O)C(O)C3O)C=C7C5=C6C(=CC=C45)C=CC=C6C=C7)N8 |
InChI |
1S/C30H27N5O7/c36-10-18-17(37)9-19(42-18)35-11-31-24-28(35)33-30(34-29(24)41)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(38)27(40)26(23)39/h1-8,11,17-19,23,25-27,36-40H,9-10H2,(H2,32,33,34,41)/t17-,18+,19+,23?,25?,26?,27?/m0/s1 |
InChIKey |
WOKFWJGVLJVTLH-STDLFCEZSA-N |
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