(2R)-3-[(4a,8,12a,12b-tetrahydroxy-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,8,12a,12b-tetrahydroxy-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/20220812/61b04b85bab041c589fa4e45913eac2c.png "(2R)-3-[(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid")
(2R)-3-[(4a,8,12a,12b-tetrahydroxy-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:
136286-49-2
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Formula:
C24H25NO10S
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Chemical Name:
(2R)-3-[(4a,8,12a,12b-tetrahydroxy-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 009A;WS-009A;WS009A;WS 009A;WS009 A;136286-49-2;N-acetyl-S-(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-4,4a,5,6,7,12,12a,12b-octahydrotetraphen-6a(1H)-yl)-L-cysteine;WS-009A;FR 901366;WS009A;DTXSID40929322;(2R)-3-[(4a,8,12a,12b-tetrahydroxy-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,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxobenz(a)anthracen-6a(1H)-yl)-;N-(1-Hydroxyethylidene)-S-(4a,8,12a,12b-tetrahydroxy-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,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid Basic Attributes
519.5 g/mol
519.11991717 g/mol
Computed Properties
Molecular Weight:519.5
XLogP3:-0.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:519.11991717
Monoisotopic Mass:519.11991717
Topological Polar Surface Area:224
Heavy Atom Count:36
Complexity:1080
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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