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bafilomycin D

bafilomycin D structure

CAS No:
98813-13-9
Formula:
C35H56O8
Chemical Name:
bafilomycin D
Synonyms:
bafilomycin D;ZINC83921012;(3E,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(1S,2R,3S,5E,7S,8R)-1,3,7,9-Tetramethyl-2,8-dihydroxy-4-oxo-5-decenyl]-3,15-dimethoxy-5,7,9,11-tetramethyl-8-hydroxy-1-oxacyclohexadeca-3,5,11,13-tetren-2-one;Hygrolidin, 21-de((3-carboxy-1-oxo-2-propenyl)oxy)-19,23-deepoxy-20,21-didehydro-2-demethyl-19-deoxy-23-hydroxy-2-methoxy-24-methyl-19-oxo-
Categories:
Organic Chemistry > Lactones

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bafilomycin D Basic Attributes

Molecular Weight：

604.819

Exact Mass：

604.397519

Characteristics

PSA：

123

XLogP3：

5.34050

Drug Information

MeSH Entry Terms：

bafilomycin D

bafilomycin D Use and Manufacturing

The bafilomycins are fungal plecomacrolide antibiotics with a 16-membered lactone ring. They inhibit the growth of Gram-positive bacteria and fungi.Bafilomycin D is a potent inhibitor of vacuolar H+ ATPases (V-ATPases) that inhibits the V-ATPase from the fungus N. crassa with an IC50value of approximately 2 nM. It is about 1,000-fold less effective against the K+-dependent ATPase of E. coli.

Computed Properties

Molecular Weight:604.8
XLogP3:5.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:604.39751874
Monoisotopic Mass:604.39751874
Topological Polar Surface Area:123
Heavy Atom Count:43
Complexity:1050
Defined Atom Stereocenter Count:10
Defined Bond Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes