Anidulafungin-d11
Product Code
TRC-A673002-25MG
Product Format
Neat
Molecular Formula
C58 D11 H62 N7 O17
Molecular Weight
1151.305
Product Categories
TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials
Product Type
Stable Isotope LabelledProduct Information
Chemical Data
Analyte Name
Anidulafungin-d11
Molecular Formula
C58 D11 H62 N7 O17
Molecular Weight
1151.305
Accurate Mass
1150.575
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)C(=O)N[C@@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@@H](O)CN6C(=O)[C@@H](NC4=O)[C@H](C)O)[C@H](O)[C@@H](O)c7ccc(O)cc7)[C@@H](C)O
InChI
InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30-,31+,39+,41+,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1/i1D3,5D2,6D2,7D2,24D2
IUPAC
N-[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-[(1S)-1-hydroxyethyl]-3-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecadeuteriopentoxy)phenyl]phenyl]benzamide
SIL Type
Deuterium
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat