 Home > Encyclopedia > Methanesulfonothioic acid, S-[2-[[(2S)-2-amino-6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] ester, 2,2,2-trifluoroacetate (1:1)

Methanesulfonothioic acid, S-[2-[[(2S)-2-amino-6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] ester, 2,2,2-trifluoroacetate (1:1)

Methanesulfonothioic acid, S-[2-[[(2S)-2-amino-6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] ester, 2,2,2-trifluoroacetate (1:1) structure

CAS No:
353754-92-4
Formula:
C19H35N5O5S3.C2HF3O2
Chemical Name:
Methanesulfonothioic acid, S-[2-[[(2S)-2-amino-6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] ester, 2,2,2-trifluoroacetate (1:1)
Synonyms:
Methanesulfonothioic acid,S-[2-[[(2S)-2-amino-6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] ester,2,2,2-trifluoroacetate (1:1);Methanesulfonothioic acid,S-[2-[[(2S)-2-amino-6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] ester,mono(trifluoroacetate)

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Description

Off-White to Pale Brown Solid

Methanesulfonothioic acid, S-[2-[[(2S)-2-amino-6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] ester, 2,2,2-trifluoroacetate (1:1) Basic Attributes

Molecular Weight：

399.55132

Exact Mass：

509.18

DSSTox ID：

DTXSID40408187

Characteristics

PSA：

217

XLogP3：

0.7

Melting Point：

75-78°C

Computed Properties

Molecular Weight:509.7
XLogP3:0.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:15
Exact Mass:509.18003275
Monoisotopic Mass:509.18003275
Topological Polar Surface Area:217
Heavy Atom Count:32
Complexity:762
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Methanesulfonothioic acid, S-(12-aminododecyl) ester, hydrochloride (1:1)

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Methanesulfonothioic acid, S-(5-aminopentyl) ester, hydrobromide (1:1)

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Guide of Methanesulfonothioic acid, S-[2-[[(2S)-2-amino-6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] ester, 2,2,2-trifluoroacetate (1:1)

Description
Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

Methanesulfonothioic acid, S-[2-[[(2S)-2-amino-6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] ester, 2,2,2-trifluoroacetate (1:1)

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