CS-0497618
(2S,5R,6R)-6-(2-Amino-2-((2R,4S)-4-carboxy-5,5-dimethylthiazolidin-2-yl)acetamido)-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
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
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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₃N₅O₇S₂
Molecular Weight: 509.56
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(C)(C)C)=O)=O
Tpsa: 173.51
Logp: 0.7123
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:
C₂₀H₂₃N₅O₇S₂
Molecular Weight:
509.56
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(C)(C)C)=O)=O
Tpsa:
173.51
Logp:
0.7123
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: C₉H₁₂N₂O₅S
Molecular Weight: 260.27
Synonyms: None
SMILES: O=C(O)[C@H]1C(C)(C)SC2N1C(O)=NC2C(O)=O
Tpsa: 110.43
Logp: -0.0261
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂N₂O₅S
Molecular Weight:
260.27
Synonyms:
None
SMILES:
O=C(O)[C@H]1C(C)(C)SC2N1C(O)=NC2C(O)=O
Tpsa:
110.43
Logp:
-0.0261
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₈H₃₂N₁₀O₁₃S₆
Molecular Weight: 1029.11
Synonyms: None
SMILES: OC(C1=C(CSC(C2=CC=CO2)=O)CS[C@@]3([H])N1C([C@H]3NC(/C(C4=CSC(NC(C5=C(CSC(C6=CC=CO6)=O)CS[C@@]7([H])N5C([C@H]7NC(/C(C8=CSC(N)=N8)=N\OC)=O)=O)=O)=N4)=N\OC)=O)=O)=O
Tpsa: 320.62
Logp: 2.2473
H Acceptors: 23
H Donors: 5
Rotatable Bonds: 17
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₃₂N₁₀O₁₃S₆
Molecular Weight:
1029.11
Synonyms:
None
SMILES:
OC(C1=C(CSC(C2=CC=CO2)=O)CS[C@@]3([H])N1C([C@H]3NC(/C(C4=CSC(NC(C5=C(CSC(C6=CC=CO6)=O)CS[C@@]7([H])N5C([C@H]7NC(/C(C8=CSC(N)=N8)=N\OC)=O)=O)=O)=N4)=N\OC)=O)=O)=O
Tpsa:
320.62
Logp:
2.2473
H Acceptors:
23
H Donors:
5
Rotatable Bonds:
17