| SpectraBase Spectrum ID |
3gDRsU2PY15 |
| Name |
Isomer_1;3-bromo-1-[2-deoxy-5-o-(4,4'-dimethoxytriphenylmethyl)-beta-D-erythro-pentofuranosyl]-4-{[dimethylamino)-methylidene]-amino}-1-H-pyrazolo |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
886.293081418 u |
| Formula |
C43H52BrN8O6P |
| InChI |
InChI=1S/C43H52BrN8O6P/c1-29(2)52(30(3)4)59(56-24-12-23-45)58-36-25-38(51-42-39(40(44)49-51)41(46-27-47-42)48-28-50(5)6)57-37(36)26-55-43(31-13-10-9-11-14-31,32-15-19-34(53-7)20-16-32)33-17-21-35(54-8)22-18-33/h9-11,13-22,27-30,36-38H,12,24-26H2,1-8H3/b48-28+/t36-,37+,38+,59?/m0/s1 |
| InChIKey |
YHXLDPKKIVQHFW-MHUJKLTLSA-N |
| Molecular Weight |
887.817 g/mol |
| SMILES |
CN(C)\C=N\C=1N=CN=C2N(N=C(Br)C12)[C@]1(C[C@](OP(N(C(C)C)C(C)C)OCCC#N)([C@](O1)(COC(C1=CC=CC=C1)(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1)[H])[H])[H] |
![Isomer_1;3-bromo-1-[2-deoxy-5-o-(4,4'-dimethoxytriphenylmethyl)-beta-D-erythro-pentofuranosyl]-4-{[dimethylamino)-methylidene]-amino}-1-H-pyrazolo](/api/spectrum/3gDRsU2PY15/structure.png?h=300&w=458 "Isomer_1;3-bromo-1-[2-deoxy-5-o-(4,4'-dimethoxytriphenylmethyl)-beta-D-erythro-pentofuranosyl]-4-{[dimethylamino)-methylidene]-amino}-1-H-pyrazolo")
