Products for Research Use Only
RegisterLogin

Ustilagic acid

CAT: 0013-GTR19277974-05Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19277974-05Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Ustilagic acid is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.
CAS Number
1427028-86-1
Smiles
CCCC (O) CC (=O) O[C@@H]1[C@@H] (O) [C@H] (O) [C@@H] (CO) O[C@H]1O[C@@H]1[C@@H] (COC (C) =O) O[C@@H] (OCC (O) CCCCCCCCCCCCCC (O) =O) [C@H] (O) [C@H]1O
Molecular Formula
C36H64O17
Molecular Weight
768.89
Notes
For research use only.

Chemical Information

16-[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(3-hydroxyhexanoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-15-hydroxyhexadecanoic acid
CAS Number1427028-86-1
PubChem CID101722845
IUPAC Name16-[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(3-hydroxyhexanoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-15-hydroxyhexadecanoic acid
Molecular FormulaC36H64O17
Molecular Weight768.9
XLogP2.3
Topological Polar Surface Area268
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count17
Rotatable Bond Count29
Heavy Atom Count53
Formal Charge0
Complexity1030
SMILES
CCCC(CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OCC(CCCCCCCCCCCCCC(=O)O)O)COC(=O)C)CO)O)O)O
InChI
InChI=1S/C36H64O17/c1-3-15-23(39)18-28(43)52-34-30(45)29(44)25(19-37)50-36(34)53-33-26(21-48-22(2)38)51-35(32(47)31(33)46)49-20-24(40)16-13-11-9-7-5-4-6-8-10-12-14-17-27(41)42/h23-26,29-37,39-40,44-47H,3-21H2,1-2H3,(H,41,42)/t23?,24?,25-,26-,29-,30+,31-,32-,33-,34-,35-,36+/m1/s1
InChIKey
FURZPASNMOHWNF-ALMPOBTLSA-N
Chemical Structure
2D Structure
2D structure of 16-[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(3-hydroxyhexanoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-15-hydroxyhexadecanoic acid
CAS: 1427028-86-1
CID: 101722845
Formula: C36H64O17
MW: 768.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight768.9
XLogP32.3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count17
Rotatable Bond Count29
Exact Mass768.41435057
Monoisotopic Mass768.41435057
Topological Polar Surface Area268 Ų
Heavy Atom Count53
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19154372-01Koningic acid (Heptelidic acid)
GTR19350542-01Acid Red 186 free acid
GTR19215994-01Acid-PEG2-SS-PEG2-acid
GTR19226787-01Acid-PEG3-SS-PEG3-acid
GTR19226061-01Acid-PEG4-S-PEG4-acid
GTR19222080-01Acid-PEG8-S-S-PEG8-acid
GTR19150586Lignoceric acid-BSA (Fatty Acid Free)
GTR19150588Arachidic acid-BSA (Fatty Acid Free)
GTR19226785-01Acid-PEG4-S-S-PEG4-acid
GTR19150587Docosanoic acid-BSA (Fatty Acid Free)

Alternative Products

CatalogName
OR1071368-01Acid-apeg6-acid
MBS6083807-01Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
O8099-01Oxalacetic Acid (Oxaloacetic acid)
275335-01Ethylenediaminediacetic acid dipropionic acid
MBS6036559-01a-Lipoic Acid (Thioctic Acid)
MBS651473-01Ambuic acid ((+)-Ambuic acid)
BIM1576-01Okadaic acid, free acid

Popular Products