CS-0616063
1-((2R,3S,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-(hydroxyimino)-3,4-dihydropyrimidin-2(1H)-one Molnupiravir Impurity
Manufacturer: ChemScene
CAS Number: 13491-41-3
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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
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
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-P330-P362+P364-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: 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
Purity: 97%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃BF₄O₂
Molecular Weight: 276.04
Synonyms: None
SMILES: FC1=C(F)C(F)=C(F)C(B2OC(C)(C)C(C)(C)O2)=C1
Tpsa: 18.46
Logp: 2.5422
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃BF₄O₂
Molecular Weight:
276.04
Synonyms:
None
SMILES:
FC1=C(F)C(F)=C(F)C(B2OC(C)(C)C(C)(C)O2)=C1
Tpsa:
18.46
Logp:
2.5422
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1