Products for Research Use Only
RegisterLogin

O-Demethylpaulomycin A

CAT: 0931-TN9996-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TN9996-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
113603-74-0
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
O-Demethylpaulomycin A is an antibiotic known for its antibacterial properties. It is particularly effective against Gram-positive bacteria, including Staphylococcus aureus.
Smiles
O=C(O)C=1C(=O)C(O)(CC(=O)C1N)C2OC(COC(=O)C)C(OC(=O)C(N=C=S)=CC)C(OC3OC(C)C(O)(C(O)C3)C(OC(=O)C(C)CC)C)C2O
Molecular Formula
C33H44N2O17S
Molecular Weight
772.771
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

O-Demethylpaulomycin A

O-demethylpaulomycin A is an organooxygen compound. It is functionally related to a tetracarboxylic acid.

CAS Number113603-74-0
PubChem CID139589283
IUPAC Name(3R)-3-[(2R,3R,4R,5R,6R)-6-(acetyloxymethyl)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyl-5-[(1S)-1-[(2R)-2-methylbutanoyl]oxyethyl]oxan-2-yl]oxy-3-hydroxy-5-[(E)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid
Molecular FormulaC33H44N2O17S
Molecular Weight772.8
XLogP0.8
Topological Polar Surface Area330
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count20
Rotatable Bond Count16
Heavy Atom Count53
Formal Charge0
Complexity1590
SMILES
CC[C@@H](C)C(=O)O[C@@H](C)[C@]1([C@@H](O[C@@H](C[C@@H]1O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C(=C\C)/N=C=S)COC(=O)C)[C@@]3(CC(=O)C(=N)C(=C3O)C(=O)O)O)O)C)O
InChI
InChI=1S/C33H44N2O17S/c1-7-13(3)30(43)49-15(5)33(46)14(4)48-21(9-20(33)38)51-26-24(39)28(32(45)10-18(37)23(34)22(27(32)40)29(41)42)50-19(11-47-16(6)36)25(26)52-31(44)17(8-2)35-12-53/h8,13-15,19-21,24-26,28,34,38-40,45-46H,7,9-11H2,1-6H3,(H,41,42)/b17-8+,34-23?/t13-,14+,15+,19-,20+,21-,24-,25-,26-,28-,32+,33+/m1/s1
InChIKey
MMHXEYFKFMVGKP-GZEXJTPRSA-N
Chemical Structure
2D Structure
2D structure of O-Demethylpaulomycin A
CAS: 113603-74-0
CID: 139589283
Formula: C33H44N2O17S
MW: 772.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight772.8
XLogP30.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count20
Rotatable Bond Count16
Exact Mass772.23606911
Monoisotopic Mass772.23606911
Topological Polar Surface Area330 Ų
Heavy Atom Count53
Formal Charge0
Complexity1590
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T201229-01Fluorescein O, O'-diacrylate
TNU0729-013'-O-Methyl-2'-O-acetyl-5'-O-benzoyluridine
T81506-01Petunidin-3-O- (6-O-p-coumaryl) -5-O-diglucoside
T83348-013-O-Feruloyl-6′-O- (4-O-β-D-glucopyranosylferuloyl) sucrose
TMIJ-0467-01Dimethoate-d6 (O, O dimethyl-d6)
TN32407-O-Acetyl-4-O-demethylpolysyphorin
TN64831-O-galloyl-6-O-cinnamoylglucose
T83370-013',4'-O, O-Methylene- (+) -catechin
TYD-00881-011-O-Hexadecyl-2-O-methylglycerol
T88675-01Acacetin 7-O- (6-O-malonylglucoside)

Alternative Products

CatalogName
GTR19254505-01O-Demethylpaulomycin A
OR95833-01O, O, O-Trimethyl phosphorothioate
290779O, O, O-Triethyl Phosphorothioate
sc-473252O, O', O''-Triethyl Phosphorothioate
TRC-T777010-1GO,O',O''-Triethyl Phosphorothioate
sc-493087BO, O-Dimethylamidothiophosphate
CS-T-86584O, o-TEPP
B10870-01O, o'-Biphenol
300705O, O-diacetyldaurisoline
sc-3942304-o-Tolyl-o, o′-azotoluene

Popular Products