CS-0616061
((2R,3S,4R,5R)-3,4-Dihydroxy-5-((E)-4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl isobutyrate Molnupiravir Impurity
Manufacturer: ChemScene
CAS Number: 2492423-30-8
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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
C₁₃H₁₉N₃O₇
Molecular Weight
329.31
Synonyms
None
SMILES
O[C@@H]([C@H]([C@H](N1C(N/C(C=C1)=N/O)=O)O2)O)[C@H]2COC(C(C)C)=O
Tpsa
146.37
Logp
-1.7153
H Acceptors
9
H Donors
4
Rotatable Bonds
4
SAFETY INFORMATION
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: C₁₃H₁₉N₃O₇
Molecular Weight: 329.31
Synonyms: None
SMILES: O[C@@H]([C@H]([C@H](N1C(N/C(C=C1)=N/O)=O)O2)O)[C@H]2COC(C(C)C)=O
Tpsa: 146.37
Logp: -1.7153
H Acceptors: 9
H Donors: 4
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:
C₁₃H₁₉N₃O₇
Molecular Weight:
329.31
Synonyms:
None
SMILES:
O[C@@H]([C@H]([C@H](N1C(N/C(C=C1)=N/O)=O)O2)O)[C@H]2COC(C(C)C)=O
Tpsa:
146.37
Logp:
-1.7153
H Acceptors:
9
H Donors:
4
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: C₉H₁₃N₃O₆
Molecular Weight: 259.22
Synonyms: None
SMILES: O[C@@H]1[C@H](N2C(N/C(C=C2)=N/O)=O)O[C@@H]([C@H]1O)CO
Tpsa: 140.3
Logp: -2.9222
H Acceptors: 8
H Donors: 5
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:
C₉H₁₃N₃O₆
Molecular Weight:
259.22
Synonyms:
None
SMILES:
O[C@@H]1[C@H](N2C(N/C(C=C2)=N/O)=O)O[C@@H]([C@H]1O)CO
Tpsa:
140.3
Logp:
-2.9222
H Acceptors:
8
H Donors:
5
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₂ClFINO
Molecular Weight: 273.43
Synonyms: None
SMILES: OC1=CC(F)=C(I)N=C1Cl
Tpsa: 33.12
Logp: 2.1843
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₂ClFINO
Molecular Weight:
273.43
Synonyms:
None
SMILES:
OC1=CC(F)=C(I)N=C1Cl
Tpsa:
33.12
Logp:
2.1843
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₄BClF₂O₂
Molecular Weight: 274.50
Synonyms: None
SMILES: CC1(C)C(C)(C)OB(C2=CC(F)=C(F)C(Cl)=C2)O1
Tpsa: 18.46
Logp: 2.9174
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₄BClF₂O₂
Molecular Weight:
274.50
Synonyms:
None
SMILES:
CC1(C)C(C)(C)OB(C2=CC(F)=C(F)C(Cl)=C2)O1
Tpsa:
18.46
Logp:
2.9174
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1