2-({[{(2S)-2-[(3R,5S,7R,8R,9S,10S,12S,13S,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl}(⁷⁵Se)selanyl]acetyl}amino)ethanesulfonic acid (non-preferre d name)

Molecular FormulaC₂₆H₄₅NO₇S⁷⁵Se
Average mass590.625 Da
Monoisotopic mass590.214172 Da
ChemSpider ID110373

- 11 of 11 defined stereocentres
- Non-standard isotope

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-({[{(2S)-2-[(3R,5S,7R,8R,9S,10S,12S,13S,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl}(⁷⁵Se)selanyl]acetyl}amino)ethanesulfonic acid (non-preferre d name) [ACD/IUPAC Name]

2-({[{(2S)-2-[(3R,5S,7R,8R,9S,10S,12S,13S,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl}(⁷⁵Se)selanyl]acetyl}amino)ethansulfonsäure (non-preferred n ame) [German] [ACD/IUPAC Name]

75018-70-1 [RN]

Acide 2-({2-[{(2S)-2-[(3R,5S,7R,8R,9S,10S,12S,13S,14S,17R)-3,7,12-trihydroxy-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthrén-17-yl]propyl}(⁷⁵Se)sélanyl]acétyl}amino)éthanesulfonique (non-pre 
ferred name) [French] [ACD/IUPAC Name]

(75)Seleno-homocholic acid-taurine

23-seleno-25-homotaurocholic acid

Ethanesulfonic acid, 2-(((((3α,5β,7α,12α,20S)-3,7,12-trihydroxy-20-methylpregnan-21-yl)seleno-75Se)acetyl)amino)-

Se(75)Hcat

Se-Hcat

Tauro-23-selena-25-homotaurocholic acid

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

XK88N6ZJHP [DBID]

UNII:XK88N6ZJHP [DBID]

UNII-XK88N6ZJHP [DBID]

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Density:
Boiling Point:
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Enthalpy of Vaporization:
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Index of Refraction:
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#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
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ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
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Click to predict properties on the Chemicalize site

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2-({[{(2S)-2-[(3R,5S,7R,8R,9S,10S,12S,13S,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl}(⁷⁵Se)selanyl]acetyl}amino)ethanesulfonic acid (non-preferre d name)

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2-({[{(2S)-2-[(3R,5S,7R,8R,9S,10S,12S,13S,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl}(75Se)selanyl]acetyl}amino)ethanesulfonic acid (non-preferre d name)

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2-({[{(2S)-2-[(3R,5S,7R,8R,9S,10S,12S,13S,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl}(⁷⁵Se)selanyl]acetyl}amino)ethanesulfonic acid (non-preferre d name)