 Home > Encyclopedia > 8-[(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl (2E)-5,9-anhydro-2,3,8-trideoxy-8-[(2E,4R,5S)-5-hydroxy-4-methyl-2-hexen-1-yl]-3-methyl-L-glycero-D-altro-non-2-enonate

8-[(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl (2E)-5,9-anhydro-2,3,8-trideoxy-8-[(2E,4R,5S)-5-hydroxy-4-methyl-2-hexen-1-yl]-3-methyl-L-glycero-D-altro-non-2-enonate

8-[(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl (2E)-5,9-anhydro-2,3,8-trideoxy-8-[(2E,4R,5S)-5-hydroxy-4-methyl-2-hexen-1-yl]-3-methyl-L-glycero-D-altro-non-2-enonate structure

CAS No:
146697-04-3
Formula:
C30H44N2O9S2
Chemical Name:
8-[(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl (2E)-5,9-anhydro-2,3,8-trideoxy-8-[(2E,4R,5S)-5-hydroxy-4-methyl-2-hexen-1-yl]-3-methyl-L-glycero-D-altro-non-2-enonate
Synonyms:
L-glycero-D-altro-Non-2-enonic acid,5,9-anhydro-2,3,8-trideoxy-8-[(2E,4R,5S)-5-hydroxy-4-methyl-2-hexen-1-yl]-3-methyl-,8-[(4,5-dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl ester,(2E)-;L-glycero-D-altro-Non-2-enonic acid,5,9-anhydro-2,3,8-trideoxy-8-[(2E,4R,5S)-5-hydroxy-4-methyl-2-hexenyl]-3-methyl-,8-[(4,5-dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl ester,(2E)-;8-[(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl (2E)-5,9-anhydro-2,3,8-trideoxy-8-[(2E,4R,5S)-5-hydroxy-4-methyl-2-hexen-1-yl]-3-methyl-L-glycero-D-altro-non-2-enonate;Thiomarinol A;4-Hydroxythiomarinol C

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8-[(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl (2E)-5,9-anhydro-2,3,8-trideoxy-8-[(2E,4R,5S)-5-hydroxy-4-methyl-2-hexen-1-yl]-3-methyl-L-glycero-D-altro-non-2-enonate Basic Attributes

Molecular Weight：

640.8 g/mol

Exact Mass：

640.81

Characteristics

PSA：

225 Å²

XLogP3：

4.49400

Drug Information

MeSH Entry Terms：

thiomarinol

Computed Properties

Molecular Weight:640.8
XLogP3:2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:17
Exact Mass:640.24882333
Monoisotopic Mass:640.24882333
Topological Polar Surface Area:225
Heavy Atom Count:43
Complexity:1120
Undefined Atom Stereocenter Count:7
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methanol structure; lithium nitride; formula bicarbonate; allura red ac; nf3 compound name; indosin

Guide of 8-[(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl (2E)-5,9-anhydro-2,3,8-trideoxy-8-[(2E,4R,5S)-5-hydroxy-4-methyl-2-hexen-1-yl]-3-methyl-L-glycero-D-altro-non-2-enonate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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