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4-[4-hydroxy-3-(methoxycarbonyl)benzyl]-2-[2,3,5-tris-O-(phenylcarbonyl)-D-ribofuranosyl]-1,2,4-triazine-3,5(2H,4H)-dione

Catalog ID
STL525834
SMILES COC(=O)c1cc(ccc1O)Cn1c(=O)cnn(c1=O)C1O[C@@H]([C@H]([C@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C38H31N3O12 MW 721.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H31N3O12/c1-49-37(47)27-19-23(17-18-28(27)42)21-40-30(43)20-39-41(38(40)48)33-32(53-36(46)26-15-9-4-10-16-26)31(52-35(45)25-13-7-3-8-14-25)29(51-33)22-50-34(44)24-11-5-2-6-12-24/h2-20,29,31-33,42H,21-22H2,1H3/t29-,31-,32-,33?/m1/s1
InChIKey
CWNHSUQSRFHNMR-KPHBROFPSA-N
Synonyms

(2R3R4R5R)2((benzoyloxy)methyl)5(4(4hydroxy3(methoxycarbonyl)benzyl)35dioxo45dihydro124triazin2(3H)yl)tetrahydrofuran34diyldibenzoate
16396654
4(4hydroxy3(methoxycarbonyl)benzyl)2(235trisO(phenylcarbonyl)Dribofuranosyl)124triazine35(2H4H)dione
COC(=O)c1cc(ccc1O)Cn1c(=O)cnn(c1=O)(C@@H)1O(C@@H)((C@H)((C@H)1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1
InChI=1SC38H31N3O12c14937(47)271923(171828(27)42)214030(43)203941(38(40)48)3332(5336(46)261594101626)31(5235(45)25137381425)29(5133)225034(44)24115261224h22029313342H2122H21H3t29313233?m1s1
methyl5((2((3~(R)4~(R)5~(R))34dibenzoyloxy5(benzoyloxymethyl)oxolan2yl)35dioxo124triazin4yl)methyl)2hydroxybenzoate
MFCD02057462
ZINC000079204240
ZINC000079204244

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Available files

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