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Product Overview

Product Code

TRC-M348515

Product Format

Neat

Molecular Formula

C67H77Cl2N9O24.2(C2HF3O2)

Molecular Weight

1691.33

Product Categories

Glycopeptides, TRC, API Reference Standards & Research Materials

Product Type

API

Alternate CAS Number

99759-13-4

Documentation

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Product Information

Chemical Data

Analyte Name

N-Methylvancomycin Di-Trifluoroacetic Acid Salt

Molecular Formula

C67H77Cl2N9O24.2(C2HF3O2)

Molecular Weight

1691.33

Accurate Mass

1689.43

SMILES

O[C@@H]1[C@@H](O[C@@](O[C@@H](C)[C@H]2O)([H])C[C@@]2(N)C)[C@@H](O[C@H](CO)[C@H]1O)OC3=C(OC4=CC=C([C@H]([C@H]5NC([C@H](N(C)C)CC(C)C)=O)O)C=C4Cl)C=C([C@](NC([C@@H](NC5=O)CC(N)=O)=O)([H])C(N[C@](C6=O)([H])C7=CC8=C(O)C=C7)=O)C=C3OC9=CC=C([C@H]([C@](C(N[C@@](C(O)=O)([H])C%10=C8C(O)=CC(O)=C%10)=O)([H])N6)O)C=C9Cl.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

InChI

InChI=1S/C67H77Cl2N9O24.2C2HF3O2/c1-24(2)13-36(78(5)6)60(90)76-50-52(84)27-8-11-39(33(68)15-27)98-41-17-29-18-42(56(41)102-66-57(55(87)54(86)43(23-79)100-66)101-45-22-67(4,71)58(88)25(3)97-45)99-40-12-9-28(16-34(40)69)53(85)51-64(94)75-49(65(95)96)32-19-30(80)20-38(82)46(32)31-14-26(7-10-37(31)81)47(61(91)77-51)74-62(92)48(29)73-59(89)35(21-44(70)83)72-63(50)93;2*3-2(4,5)1(6)7/h7-12,14-20,24-25,35-36,43,45,47-55,57-58,66,79-82,84-88H,13,21-23,71H2,1-6H3,(H2,70,83)(H,72,93)(H,73,89)(H,74,92)(H,75,94)(H,76,90)(H,77,91)(H,95,96);2*(H,6,7)/t25-,35-,36+,43+,45-,47+,48+,49-,50+,51-,52+,53+,54+,55-,57+,58+,66-,67-;;/m0../s1

Alternate CAS Number

99759-13-4

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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N-Methylvancomycin Di-trifluoroacetic Acid Salt (>85%)

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