CS-0498058
(2S,5R,6R)-6-(2-(4-Hydroxyphenoxy)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Penicillin Impurity
Manufacturer: ChemScene
CAS Number: 20880-67-5
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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
C₁₆H₁₈N₂O₆S
Molecular Weight
366.39
Synonyms
4-Hydroxypenicillin V
SMILES
O=C([C@@H](C(C)(C)S[C@]1([H])[C@@H]2NC(COC3=CC=C(O)C=C3)=O)N1C2=O)O
Tpsa
116.17
Logp
0.4027
H Acceptors
6
H Donors
3
Rotatable Bonds
5
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/health-hazard.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₁₆H₁₈N₂O₆S
Molecular Weight: 366.39
Synonyms: 4-Hydroxypenicillin V
SMILES: O=C([C@@H](C(C)(C)S[C@]1([H])[C@@H]2NC(COC3=CC=C(O)C=C3)=O)N1C2=O)O
Tpsa: 116.17
Logp: 0.4027
H Acceptors: 6
H Donors: 3
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:
C₁₆H₁₈N₂O₆S
Molecular Weight:
366.39
Synonyms:
4-Hydroxypenicillin V
SMILES:
O=C([C@@H](C(C)(C)S[C@]1([H])[C@@H]2NC(COC3=CC=C(O)C=C3)=O)N1C2=O)O
Tpsa:
116.17
Logp:
0.4027
H Acceptors:
6
H Donors:
3
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: C₂₆H₂₆N₁₀O₁₀S₄
Molecular Weight: 766.81
Synonyms: None
SMILES: O=C1[C@@]([H])(NC(/C(C2=CSC(NC(C(NC(/C(C3=CSC(N)=N3)=N\OC)=O)C4SCC=C(C(O)=O)N4)=O)=N2)=N\OC)=O)[C@]5([H])N1C(C(O)=O)=CCS5
Tpsa: 289.22
Logp: -0.9943
H Acceptors: 18
H Donors: 7
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₆N₁₀O₁₀S₄
Molecular Weight:
766.81
Synonyms:
None
SMILES:
O=C1[C@@]([H])(NC(/C(C2=CSC(NC(C(NC(/C(C3=CSC(N)=N3)=N\OC)=O)C4SCC=C(C(O)=O)N4)=O)=N2)=N\OC)=O)[C@]5([H])N1C(C(O)=O)=CCS5
Tpsa:
289.22
Logp:
-0.9943
H Acceptors:
18
H Donors:
7
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₅N₅O₆S₂
Molecular Weight: 437.45
Synonyms: Cefdinir O-Acetyl Impurity
SMILES: OC(C1=C(C=C)CS[C@@]2([H])N1C([C@@]2([H])NC(/C(C3=CSC(N)=N3)=N\OC(C)=O)=O)=O)=O
Tpsa: 164.28
Logp: -0.0829
H Acceptors: 10
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:
C₁₆H₁₅N₅O₆S₂
Molecular Weight:
437.45
Synonyms:
Cefdinir O-Acetyl Impurity
SMILES:
OC(C1=C(C=C)CS[C@@]2([H])N1C([C@@]2([H])NC(/C(C3=CSC(N)=N3)=N\OC(C)=O)=O)=O)=O
Tpsa:
164.28
Logp:
-0.0829
H Acceptors:
10
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: C₁₆H₁₈N₂O₆S
Molecular Weight: 366.39
Synonyms: None
SMILES: O=C(O)[C@H]1C(C)(C)S([C@](N21)([H])[C@@](NC(COC3=CC=CC=C3)=O)([H])C2=O)=O
Tpsa: 113.01
Logp: -0.2874
H Acceptors: 5
H Donors: 2
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:
C₁₆H₁₈N₂O₆S
Molecular Weight:
366.39
Synonyms:
None
SMILES:
O=C(O)[C@H]1C(C)(C)S([C@](N21)([H])[C@@](NC(COC3=CC=CC=C3)=O)([H])C2=O)=O
Tpsa:
113.01
Logp:
-0.2874
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
5