CS-0497765
(6R,6'R,7R,7'R)-7,7'-(Carbonylbis(azanediyl))bis(3-(acetoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid) 7-ACA Impurity
Manufacturer: ChemScene
CAS Number: None
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₁H₂₂N₄O₁₁S₂
Molecular Weight
570.55
Synonyms
None
SMILES
O=C([C@@]1([H])NC(N[C@]2([H])C(N3[C@]2([H])SCC(COC(C)=O)=C3C(O)=O)=O)=O)N4[C@]1([H])SCC(COC(C)=O)=C4C(O)=O
Tpsa
208.95
Logp
-1.3434
H Acceptors
11
H Donors
4
Rotatable Bonds
8
Other Options
...
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₂N₄O₁₁S₂
Molecular Weight: 570.55
Synonyms: None
SMILES: O=C([C@@]1([H])NC(N[C@]2([H])C(N3[C@]2([H])SCC(COC(C)=O)=C3C(O)=O)=O)=O)N4[C@]1([H])SCC(COC(C)=O)=C4C(O)=O
Tpsa: 208.95
Logp: -1.3434
H Acceptors: 11
H Donors: 4
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₂N₄O₁₁S₂
Molecular Weight:
570.55
Synonyms:
None
SMILES:
O=C([C@@]1([H])NC(N[C@]2([H])C(N3[C@]2([H])SCC(COC(C)=O)=C3C(O)=O)=O)=O)N4[C@]1([H])SCC(COC(C)=O)=C4C(O)=O
Tpsa:
208.95
Logp:
-1.3434
H Acceptors:
11
H Donors:
4
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₂₉N₅O₇S₂
Molecular Weight: 599.68
Synonyms: None
SMILES: CC1=C(C(N[C@]([C@]2([H])N3[C@](C(N[C@]([C@]4([H])N5[C@@]([H])(C(O)=O)C(C)(C)S4)([H])C5=O)=O)([H])C(C)(C)S2)([H])C3=O)=O)C(C6=CC=CC=C6)=NO1
Tpsa: 162.15
Logp: 1.44242
H Acceptors: 9
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₂₉N₅O₇S₂
Molecular Weight:
599.68
Synonyms:
None
SMILES:
CC1=C(C(N[C@]([C@]2([H])N3[C@](C(N[C@]([C@]4([H])N5[C@@]([H])(C(O)=O)C(C)(C)S4)([H])C5=O)=O)([H])C(C)(C)S2)([H])C3=O)=O)C(C6=CC=CC=C6)=NO1
Tpsa:
162.15
Logp:
1.44242
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: RT, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₄KNO₂S
Molecular Weight: 169.24
Synonyms: Potassium [(cyanomethyl)thio]acetate
SMILES: O=C(CSCC#N)O[K]
Tpsa: 50.09
Logp: -0.13012
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
RT, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₄KNO₂S
Molecular Weight:
169.24
Synonyms:
Potassium [(cyanomethyl)thio]acetate
SMILES:
O=C(CSCC#N)O[K]
Tpsa:
50.09
Logp:
-0.13012
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₂N₄O₉S₂
Molecular Weight: 526.54
Synonyms: None
SMILES: O=C([C@@]1([H])N)N2[C@]1([H])SCC(COC(C)=O)=C2C(N[C@]3([H])C(N4[C@]3([H])SCC(COC(C)=O)=C4C(O)=O)=O)=O
Tpsa: 185.64
Logp: -1.6523
H Acceptors: 11
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₂N₄O₉S₂
Molecular Weight:
526.54
Synonyms:
None
SMILES:
O=C([C@@]1([H])N)N2[C@]1([H])SCC(COC(C)=O)=C2C(N[C@]3([H])C(N4[C@]3([H])SCC(COC(C)=O)=C4C(O)=O)=O)=O
Tpsa:
185.64
Logp:
-1.6523
H Acceptors:
11
H Donors:
3
Rotatable Bonds:
7