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epothilone E

epothilone E structure

CAS No:
201049-37-8
Formula:
C26H39NO7S
Chemical Name:
epothilone E
Synonyms:
epothilone E;[4S,7R,8S,9S,13R,14S,16S(E)]-13,14-Epoxy-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[2-[2-(hydroxymethyl)thiazol-4-yl]-1-methylvinyl]-1-oxacyclohexadecane-2,6-dione
Categories:
Active Pharmaceutical Ingredients > Antineoplastic Agents

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epothilone E Basic Attributes

Molecular Weight：

509.658

Exact Mass：

509.244720

Characteristics

PSA：

158

XLogP3：

1.75

Density：

1.2±0.1 g/cm3

Boiling Point：

715.5±60.0 °C at 760 mmHg

Flash Point：

386.5±32.9 °C

Refractive Index：

1.543

Drug Information

MeSH Entry Terms：

epothilone E

Computed Properties

Molecular Weight:509.7
XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:509.24472376
Monoisotopic Mass:509.24472376
Topological Polar Surface Area:158
Heavy Atom Count:35
Complexity:788
Defined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes