 Home > Encyclopedia > [2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate

[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate

[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate structure

CAS No:
27953-64-6
Formula:
C23H31IO5
Chemical Name:
[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate
Synonyms:
27953-64-6;BRN 2488578;17-hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate;17-alpha,21-Dihydroxy-14-alpha-pregn-4-ene-3,20-dione 21-iodoacetate;14-alpha-Pregn-4-ene-3,20-dione, 17-alpha,21-dihydroxy-, 21-iodoacetate;DTXSID20950639

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[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate Basic Attributes

Molecular Weight：

514.4 g/mol

Exact Mass：

514.12162 g/mol

Characteristics

PSA：

80.7 Å²

Computed Properties

Molecular Weight:514.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:514.12162
Monoisotopic Mass:514.12162
Topological Polar Surface Area:80.7
Heavy Atom Count:29
Complexity:775
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate

Basic Attributes
Characteristics
Computed Properties
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