 Home > Encyclopedia > (1S,2R,5S,11S,13S,14S,17R,18R)-5-chloro-2,18-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8-oxa-10-thiapentacyclo[11.7.0.02,7.07,11.014,18]icosane-9-thione

(1S,2R,5S,11S,13S,14S,17R,18R)-5-chloro-2,18-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8-oxa-10-thiapentacyclo[11.7.0.02,7.07,11.014,18]icosane-9-thione

(1S,2R,5S,11S,13S,14S,17R,18R)-5-chloro-2,18-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8-oxa-10-thiapentacyclo[11.7.0.02,7.07,11.014,18]icosane-9-thione structure

CAS No:
133586-86-4
Formula:
C28H45ClOS2
Chemical Name:
(1S,2R,5S,11S,13S,14S,17R,18R)-5-chloro-2,18-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8-oxa-10-thiapentacyclo[11.7.0.02,7.07,11.014,18]icosane-9-thione
Synonyms:
133586-86-4;BRN 4272702;3-beta-Chloro-5-alpha,6-alpha-(oxycarbonothioylthio)cholestane;3beta-Chloro-5alpha-chloestano(6alpha,5-d)',3'-oxathiolane-2'-thione;3-beta-Chloro-5-alpha-cholestano(6-alpha,5-d)',3'-oxathiolane-2'-thione;Cholestane, 3-chloro-5,6-(oxycarbonothioylthio)-, (3-beta,5-alpha,6-alpha)-;Cholestane, 3-chloro-5,6-(oxy(thioxomethylene)thio)-, (3-beta,5-alpha,6-alpha)-;DTXSID00928199;Cholestane, 3-chloro-5,6-(oxycarbonothioylthio)-, (3beta,5alpha,6alpha)-;3-Chloro-11a,13b-dimethyl-11-(6-methylheptan-2-yl)hexadecahydro-6H-cyclopenta[1,2]phenanthro[9,8a-d][1,3]oxathiole-6-thione

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(1S,2R,5S,11S,13S,14S,17R,18R)-5-chloro-2,18-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8-oxa-10-thiapentacyclo[11.7.0.02,7.07,11.014,18]icosane-9-thione Basic Attributes

Molecular Weight：

497.2 g/mol

Exact Mass：

496.2600361 g/mol

Characteristics

PSA：

66.6 Å²

XLogP3：

8.8645

Melting Point：

95 °C

Computed Properties

Molecular Weight:497.2
XLogP3:10.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:496.2600361
Monoisotopic Mass:496.2600361
Topological Polar Surface Area:66.6
Heavy Atom Count:32
Complexity:741
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1S,2R,5S,11S,13S,14S,17R,18R)-5-chloro-2,18-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8-oxa-10-thiapentacyclo[11.7.0.02,7.07,11.014,18]icosane-9-thione

Basic Attributes
Characteristics
Computed Properties

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