CS-0497615
(2S,5R,6R)-6-((2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-APA 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
C₁₆H₂₂N₄O₅S₂
Molecular Weight
414.50
Synonyms
None
SMILES
O=C(O)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC([C@H]3C(C)(C)S[C@](N43)([H])[C@@](N)([H])C4=O)=O)([H])C2=O
Tpsa
133.04
Logp
-0.9923
H Acceptors
7
H Donors
3
Rotatable Bonds
3
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: C₁₆H₂₂N₄O₅S₂
Molecular Weight: 414.50
Synonyms: None
SMILES: O=C(O)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC([C@H]3C(C)(C)S[C@](N43)([H])[C@@](N)([H])C4=O)=O)([H])C2=O
Tpsa: 133.04
Logp: -0.9923
H Acceptors: 7
H Donors: 3
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:
C₁₆H₂₂N₄O₅S₂
Molecular Weight:
414.50
Synonyms:
None
SMILES:
O=C(O)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC([C@H]3C(C)(C)S[C@](N43)([H])[C@@](N)([H])C4=O)=O)([H])C2=O
Tpsa:
133.04
Logp:
-0.9923
H Acceptors:
7
H Donors:
3
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: C₁₉H₁₇N₅O₇S₃
Molecular Weight: 523.56
Synonyms: None
SMILES: OC(C1=C(CSC(C2=CC=CO2)=O)CS[C@@]([C@@H]3NC(/C(C4=CSC(N)=N4)=N/OC)=O)([H])N1C3=O)=O
Tpsa: 177.42
Logp: 0.981
H Acceptors: 12
H Donors: 3
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:
C₁₉H₁₇N₅O₇S₃
Molecular Weight:
523.56
Synonyms:
None
SMILES:
OC(C1=C(CSC(C2=CC=CO2)=O)CS[C@@]([C@@H]3NC(/C(C4=CSC(N)=N4)=N/OC)=O)([H])N1C3=O)=O
Tpsa:
177.42
Logp:
0.981
H Acceptors:
12
H Donors:
3
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: C₁₇H₁₇N₅O₇S₂
Molecular Weight: 467.48
Synonyms: None
SMILES: [H][C@@]1(NC(/C(C2=CSC(N)=N2)=N\OCC(O)=O)=O)C(N3[C@]1([H])SCC(C=C)=C3C(OC)=O)=O
Tpsa: 173.51
Logp: -0.4564
H Acceptors: 11
H Donors: 3
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:
C₁₇H₁₇N₅O₇S₂
Molecular Weight:
467.48
Synonyms:
None
SMILES:
[H][C@@]1(NC(/C(C2=CSC(N)=N2)=N\OCC(O)=O)=O)C(N3[C@]1([H])SCC(C=C)=C3C(OC)=O)=O
Tpsa:
173.51
Logp:
-0.4564
H Acceptors:
11
H Donors:
3
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: C₁₆H₂₄N₄O₆S₂
Molecular Weight: 432.51
Synonyms: None
SMILES: O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(N[C@]([C@]2([H])N3[C@@H](C(O)=O)C(C)(C)S2)([H])C3=O)=O)N)N1
Tpsa: 162.06
Logp: -1.1603
H Acceptors: 8
H Donors: 5
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₄N₄O₆S₂
Molecular Weight:
432.51
Synonyms:
None
SMILES:
O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(N[C@]([C@]2([H])N3[C@@H](C(O)=O)C(C)(C)S2)([H])C3=O)=O)N)N1
Tpsa:
162.06
Logp:
-1.1603
H Acceptors:
8
H Donors:
5
Rotatable Bonds:
5