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ACETYLTAXOL,7-(P)

ACETYLTAXOL,7-(P) structure

CAS No:
92950-39-5
Formula:
C49H53NO15
Chemical Name:
ACETYLTAXOL,7-(P)
Synonyms:
7-acetyltaxol;ACETYLTAXOL, 7-(P);7-Acetyl Paclitaxel;(αR,βS)-β-(BenzoylaMino)-α-hydroxy-benzenepropanoic Acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-4,6,12b-Tris(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetraMethyl-5-oxo-7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester
Categories:
Organic Chemistry > Organometallic Compounds

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Description

White Solid

ACETYLTAXOL,7-(P) Basic Attributes

Molecular Weight：

895.95

Exact Mass：

895.342

Characteristics

PSA：

227

XLogP3：

3.1

Density：

1.38±0.1 g/cm3(Predicted)

Melting Point：

160-162 °C

Drug Information

MeSH Entry Terms：

7-acetyl taxol

ACETYLTAXOL,7-(P) Use and Manufacturing

Biologically active Paclitaxel derivative that interacts with tubulin assemblies in the brain.

Computed Properties

Molecular Weight:895.9
XLogP3:3.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:16
Exact Mass:895.34151998
Monoisotopic Mass:895.34151998
Topological Polar Surface Area:227
Heavy Atom Count:65
Complexity:1910
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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