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12-Deoxyerythronolide A

12-Deoxyerythronolide A structure

CAS No:
3225-82-9
Formula:
C21H38O7
Chemical Name:
12-Deoxyerythronolide A
Synonyms:
Erythronolide A,12-deoxy-;Oxacyclotetradecane-2,10-dione,14-ethyl-4,6,7,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-,(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-;Oxacyclotetradecane,erythronolide A deriv.;12-Deoxyerythronolide A;Erythronolide B;(-)-Erythronolide B;19270-26-9;24784-66-5
Categories:
Organic Chemistry > Lactones

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12-Deoxyerythronolide A Basic Attributes

Molecular Weight：

402.52222

Exact Mass：

402.52

DSSTox ID：

DTXSID20275990

Characteristics

PSA：

124

XLogP3：

1.8

Density：

1.069±0.06 g/cm3(Predicted)

Drug Information

MeSH Entry Terms：

erythronolide B

Computed Properties

Molecular Weight:402.5
XLogP3:1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:402.26175355
Monoisotopic Mass:402.26175355
Topological Polar Surface Area:124
Heavy Atom Count:28
Complexity:551
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes