CS-0865196
2-Amino-4-carbamoyl-4,4-difluorobutanoic acid
Manufacturer: ChemScene
CAS Number: 175548-95-5
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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
C₅H₈F₂N₂O₃
Molecular Weight
182.13
Synonyms
None
SMILES
O=C(O)C(N)CC(F)(C(N)=O)F
Tpsa
106.41
Logp
-1.091
H Acceptors
3
H Donors
3
Rotatable Bonds
4
SAFETY INFORMATION
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: C₅H₈F₂N₂O₃
Molecular Weight: 182.13
Synonyms: None
SMILES: O=C(O)C(N)CC(F)(C(N)=O)F
Tpsa: 106.41
Logp: -1.091
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₈F₂N₂O₃
Molecular Weight:
182.13
Synonyms:
None
SMILES:
O=C(O)C(N)CC(F)(C(N)=O)F
Tpsa:
106.41
Logp:
-1.091
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₆₂N₂O₂₉
Molecular Weight: 998.88
Synonyms: LSTa
SMILES: OC([C@](O[C@@]([C@@H]1NC(C)=O)([H])[C@H](O)[C@H](O)CO)(C[C@@H]1O)O[C@@H]([C@H]([C@H]2CO)O)[C@H]([C@@H](O2)O[C@@H]([C@@H]([C@H]3CO)O)[C@H]([C@@H](O3)O[C@@H]([C@H]([C@H]4CO)O)[C@H]([C@@H](O4)O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O)NC(C)=O)O)=O
Tpsa: 510.09
Logp: -12.5886
H Acceptors: 28
H Donors: 19
Rotatable Bonds: 22
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₆₂N₂O₂₉
Molecular Weight:
998.88
Synonyms:
LSTa
SMILES:
OC([C@](O[C@@]([C@@H]1NC(C)=O)([H])[C@H](O)[C@H](O)CO)(C[C@@H]1O)O[C@@H]([C@H]([C@H]2CO)O)[C@H]([C@@H](O2)O[C@@H]([C@@H]([C@H]3CO)O)[C@H]([C@@H](O3)O[C@@H]([C@H]([C@H]4CO)O)[C@H]([C@@H](O4)O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O)NC(C)=O)O)=O
Tpsa:
510.09
Logp:
-12.5886
H Acceptors:
28
H Donors:
19
Rotatable Bonds:
22
Purity: ≥90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₂H₇₂N₂O₂₉
Molecular Weight: 1069.02
Synonyms: None
SMILES: CC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CC)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]6[C@@H](CO)OC(O)[C@H](O)[C@H]6O)[C@@H]5O)[C@H](NC(C)=O)[C@H]4O)[C@@H]3O)O[C@H](CO)[C@H]2O)O1
Tpsa: 483.41
Logp: -10.9774
H Acceptors: 29
H Donors: 18
Rotatable Bonds: 18
Purity:
≥90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₂H₇₂N₂O₂₉
Molecular Weight:
1069.02
Synonyms:
None
SMILES:
CC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CC)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]6[C@@H](CO)OC(O)[C@H](O)[C@H]6O)[C@@H]5O)[C@H](NC(C)=O)[C@H]4O)[C@@H]3O)O[C@H](CO)[C@H]2O)O1
Tpsa:
483.41
Logp:
-10.9774
H Acceptors:
29
H Donors:
18
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₆₁NO₈
Molecular Weight: 587.83
Synonyms: None
SMILES: CCCCCCCC(N[C@H]([C@H](O)/C=C/CCCCCCCCCCCCC)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)=O
Tpsa: 148.71
Logp: 4.2664
H Acceptors: 8
H Donors: 6
Rotatable Bonds: 25
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₆₁NO₈
Molecular Weight:
587.83
Synonyms:
None
SMILES:
CCCCCCCC(N[C@H]([C@H](O)/C=C/CCCCCCCCCCCCC)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)=O
Tpsa:
148.71
Logp:
4.2664
H Acceptors:
8
H Donors:
6
Rotatable Bonds:
25