CS-0616114
1-((2S,3S,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-(hydroxyimino)-3,4-dihydropyrimidin-2(1H)-one Molnupiravir Impurity
Manufacturer: ChemScene
CAS Number: 402725-23-9
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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-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: 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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈OS
Molecular Weight: 152.21
Synonyms: None
SMILES: C/C=C/C(C1=CSC=C1)=O
Tpsa: 17.07
Logp: 2.5069
H Acceptors: 2
H Donors: 0
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:
C₈H₈OS
Molecular Weight:
152.21
Synonyms:
None
SMILES:
C/C=C/C(C1=CSC=C1)=O
Tpsa:
17.07
Logp:
2.5069
H Acceptors:
2
H Donors:
0
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: C₈H₇ClF₂O
Molecular Weight: 192.59
Synonyms: None
SMILES: O[C@H](C(F)(Cl)F)C1=CC=CC=C1
Tpsa: 20.23
Logp: 2.5516
H Acceptors: 1
H Donors: 1
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:
C₈H₇ClF₂O
Molecular Weight:
192.59
Synonyms:
None
SMILES:
O[C@H](C(F)(Cl)F)C1=CC=CC=C1
Tpsa:
20.23
Logp:
2.5516
H Acceptors:
1
H Donors:
1
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: C₁₀H₁₅NO₃
Molecular Weight: 197.23
Synonyms: None
SMILES: OC1=CC(C[C@@H](NC)C)=C(O)C=C1O
Tpsa: 72.72
Logp: 0.9538
H Acceptors: 4
H Donors: 4
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₅NO₃
Molecular Weight:
197.23
Synonyms:
None
SMILES:
OC1=CC(C[C@@H](NC)C)=C(O)C=C1O
Tpsa:
72.72
Logp:
0.9538
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
3