Analyte Name

3-[(2-Thienylsulfonyl)methyl]-5-[5-trifluoroacetyl-thien-2-yl]-1,2,4-oxadiazole

CAS Number

946499-88-3

Molecular Formula

C48 H72 N8 O28

Molecular Weight

1209.122

Accurate Mass

1208.446

SMILES

OC1C(O)[C@H](OCCN(CCO[C@@H]2OC([C@H](O)C(O)C2O)C(=O)O)c3nc(N4CCCCC4)c5nc(nc(N6CCCCC6)c5n3)N(CCO[C@@H]7OC([C@H](O)C(O)C7O)C(=O)O)CCO[C@@H]8OC([C@H](O)C(O)C8O)C(=O)O)OC([C@@H]1O)C(=O)O

InChI

InChI=1S/C48H72N8O28/c57-21-25(61)33(39(69)70)81-43(29(21)65)77-15-11-55(12-16-78-44-30(66)22(58)26(62)34(82-44)40(71)72)47-50-20-19(37(51-47)53-7-3-1-4-8-53)49-48(52-38(20)54-9-5-2-6-10-54)56(13-17-79-45-31(67)23(59)27(63)35(83-45)41(73)74)14-18-80-46-32(68)24(60)28(64)36(84-46)42(75)76/h21-36,43-46,57-68H,1-18H2,(H,69,70)(H,71,72)(H,73,74)(H,75,76)/t21?,22?,23?,24?,25-,26-,27-,28-,29?,30?,31?,32?,33?,34?,35?,36?,43-,44-,45-,46-/m1/s1

IUPAC

(3R,6R)-6-[2-[[2-[bis[2-[(2R,5R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxyethyl]amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-[2-[(2R,5R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxyethyl]amino]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat