 Home > Encyclopedia > 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-, [6R-[6α,7β(R*)]]-, compd. with methanol (1:1)

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-, [6R-[6α,7β(R*)]]-, compd. with methanol (1:1)

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-, [6R-[6α,7β(R*)]]-, compd. with methanol (1:1) structure

CAS No:
59139-54-7
Formula:
C18H18N6O5S2.CH4O
Chemical Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-, [6R-[6α,7β(R*)]]-, compd. with methanol (1:1)
Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-,[6R-[6α,7β(R*)]]-,compd. with methanol (1:1);1H-1,2,3-Triazole,5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv.;Methanol,compd. with [6R-[6α,7β(R*)]]-7-[[amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (1:1)

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5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-, [6R-[6α,7β(R*)]]-, compd. with methanol (1:1) Basic Attributes

Molecular Weight：

494.54500

Exact Mass：

494.10422479

EC Number：

261-623-3

Characteristics

PSA：

248.85000

XLogP3：

1.12800

Boiling Point：

948.1ºC at 760 mmHg

Flash Point：

527.2ºC

Computed Properties

Molecular Weight:494.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:494.10422479
Monoisotopic Mass:494.10422479
Topological Polar Surface Area:245
Heavy Atom Count:33
Complexity:777
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-, [6R-[6α,7β(R*)]]-, compd. with methanol (1:1)

Basic Attributes
Characteristics
Computed Properties

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