CAS
917757-44-9 Purity
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917757-44-9 Purity
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![(2R)-2-Acetamido-3-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methylsulfanyl]propanoic acid](https://resource.alfa-chemistry.com/structure/91776-42-0.gif)
![(2R)-2-Acetamido-3-[[1-hydroxy-7-(hydroxymethyl)-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl]methylsulfanyl]propanoic acid](https://resource.alfa-chemistry.com/structure/91776-45-3.gif)
![(2R)-2-Acetamido-3-[(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)methylsulfanyl]propanoic acid](https://resource.alfa-chemistry.com/structure/91776-47-5.gif)
![(2R)-2-Acetamido-3-[(1-hydroxy-3,6-dimethoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methylsulfanyl]propanoic acid](https://resource.alfa-chemistry.com/structure/91776-48-6.gif)
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(2R)-2-Acetamido-3-[[1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxonaphthalen-2-yl]methylsulfanyl]propanoic acid
CAS
91776-44-2
Catalog Number
ACM91776442
Category
Other Products
Molecular Weight
409.41 g/mol
Molecular Formula
C18H19NO8S
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Specification
Synonyms
Fibrostatin E, CID56294, LS-58992, L-Cysteine, N-acetyl-S-((5,8-dihydro-1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxo-2-naphthalenyl)methyl)-, 91776-44-2
IUPAC Name
(2R)-2-acetamido-3-[[1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxonaphthalen-2-yl]methylsulfanyl]propanoic acid
InChI Key
XMGJRXDFMZYRQG-LBPRGKRZSA-N
Exact Mass
409.08300
H-Bond Acceptor
8
H-Bond Donor
4
What is the molecular formula of Fibrostatin E?
The molecular formula of Fibrostatin E is C18H19NO8S.
What are the synonyms of Fibrostatin E?
The synonyms of Fibrostatin E are Fibrostatin E, 91776-44-2, L-Cysteine, N-acetyl-S-((5,8-dihydro-1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxo-2-naphthalenyl)methyl)-, and DTXSID40238688.
What is the molecular weight of Fibrostatin E?
The molecular weight of Fibrostatin E is 409.4 g/mol.
When was Fibrostatin E created and last modified?
Fibrostatin E was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of Fibrostatin E?
The IUPAC name of Fibrostatin E is (2R)-2-acetamido-3-[[1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxonaphthalen-2-yl]methylsulfanyl]propanoic acid.
What is the InChI of Fibrostatin E?
The InChI of Fibrostatin E is InChI=1S/C18H19NO8S/c1-8(21)19-12(18(25)26)7-28-6-11-14(27-2)4-10-13(22)3-9(5-20)16(23)15(10)17(11)24/h3-4,12,20,24H,5-7H2,1-2H3,(H,19,21)(H,25,26)/t12-/m0/s1.
What is the InChIKey of Fibrostatin E?
The InChIKey of Fibrostatin E is XMGJRXDFMZYRQG-LBPRGKRZSA-N.
What are the other identifiers of Fibrostatin E?
Other identifiers of Fibrostatin E include CAS number 91776-44-2, DSSTox Substance ID DTXSID40238688, Metabolomics Workbench ID 98517, Nikkaji Number J128.639K, and Wikidata ID Q76005522.
What is the XLogP3-AA value of Fibrostatin E?
The XLogP3-AA value of Fibrostatin E is 0.1.
What are some computed properties of Fibrostatin E?
Some computed properties of Fibrostatin E include hydrogen bond donor count of 4, hydrogen bond acceptor count of 9, rotatable bond count of 8, exact mass of 409.08313774 g/mol, topological polar surface area of 176Ų, heavy atom count of 28, and defined atom stereocenter count of 1.
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