(2R)-3-[(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid
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![(2R)-3-[(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/db9163b5e53b4fc485274c29dc5545d0.png "(2R)-3-[(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid")
(2R)-3-[(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid
structure -
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CAS No:
136286-50-5
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Formula:
C24H25NO11S
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Chemical Name:
(2R)-3-[(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid
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Synonyms:
WS 009B;WS-009B;WS009B;WS 009B;136286-50-5;WS-009B;N-acetyl-S-(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-4,4a,5,6,7,12,12a,12b-octahydrotetraphen-6a(1H)-yl)-L-cysteine;FR 901367;WS009B;DTXSID00929323;(2R)-3-[(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid;L-Cysteine, N-acetyl-S-(4,4a,5,6,7,12,12a,12b-octahydro-4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxobenz(a)anthracen-6a(1H)-yl)-;N-(1-Hydroxyethylidene)-S-(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-4,4a,5,6,7,12,12a,12b-octahydrotetraphen-6a(1H)-yl)cysteine
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CAS No:
(2R)-3-[(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid Basic Attributes
535.5 g/mol
535.11483179 g/mol
Computed Properties
Molecular Weight:535.5
XLogP3:-1.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:535.11483179
Monoisotopic Mass:535.11483179
Topological Polar Surface Area:244
Heavy Atom Count:37
Complexity:1110
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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