CS-1002747
Sofosbuvir Impurity 58
Manufacturer: ChemScene
CAS Number: 220503-64-0
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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
C₃₈H₃₁N₃O₉
Molecular Weight
673.67
Synonyms
None
SMILES
O(C(=O)C1=CC=CC=C1)[C@@]2(C)[C@@H](O[C@H](COC(=O)C3=CC=CC=C3)[C@H]2OC(=O)C4=CC=CC=C4)N5C(=O)N=C(NC(=O)C6=CC=CC=C6)C=C5
Tpsa
152.12
Logp
5.0913
H Acceptors
11
H Donors
1
Rotatable Bonds
10
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: C₃₈H₃₁N₃O₉
Molecular Weight: 673.67
Synonyms: None
SMILES: O(C(=O)C1=CC=CC=C1)[C@@]2(C)[C@@H](O[C@H](COC(=O)C3=CC=CC=C3)[C@H]2OC(=O)C4=CC=CC=C4)N5C(=O)N=C(NC(=O)C6=CC=CC=C6)C=C5
Tpsa: 152.12
Logp: 5.0913
H Acceptors: 11
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₃₁N₃O₉
Molecular Weight:
673.67
Synonyms:
None
SMILES:
O(C(=O)C1=CC=CC=C1)[C@@]2(C)[C@@H](O[C@H](COC(=O)C3=CC=CC=C3)[C@H]2OC(=O)C4=CC=CC=C4)N5C(=O)N=C(NC(=O)C6=CC=CC=C6)C=C5
Tpsa:
152.12
Logp:
5.0913
H Acceptors:
11
H Donors:
1
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₃₄N₆O₈S
Molecular Weight: 530.60
Synonyms: None
SMILES: N(C1=C2C(N(N=N2)[C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)=NC(SCCC)=N1)[C@@H]4C[C@H](OCCO)[C@@H](O)[C@H]4O
Tpsa: 208.36
Logp: -1.949
H Acceptors: 15
H Donors: 7
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₃₄N₆O₈S
Molecular Weight:
530.60
Synonyms:
None
SMILES:
N(C1=C2C(N(N=N2)[C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)=NC(SCCC)=N1)[C@@H]4C[C@H](OCCO)[C@@H](O)[C@H]4O
Tpsa:
208.36
Logp:
-1.949
H Acceptors:
15
H Donors:
7
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₀O₃
Molecular Weight: 296.36
Synonyms: None
SMILES: O=C(OC(C)C)C(C=1C=CC=C(C1)C(=O)C=2C=CC=CC2)C
Tpsa: 43.37
Logp: 3.9727
H Acceptors: 3
H Donors: 0
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:
C₁₉H₂₀O₃
Molecular Weight:
296.36
Synonyms:
None
SMILES:
O=C(OC(C)C)C(C=1C=CC=C(C1)C(=O)C=2C=CC=CC2)C
Tpsa:
43.37
Logp:
3.9727
H Acceptors:
3
H Donors:
0
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: C₁₃H₁₁ClFN₃O₃
Molecular Weight: 311.70
Synonyms: None
SMILES: O=C(N)C1=CC=C(F)C=C1CN2C(=O)N(C(=O)C=C2Cl)C
Tpsa: 87.09
Logp: 0.4867
H Acceptors: 5
H Donors: 1
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:
C₁₃H₁₁ClFN₃O₃
Molecular Weight:
311.70
Synonyms:
None
SMILES:
O=C(N)C1=CC=C(F)C=C1CN2C(=O)N(C(=O)C=C2Cl)C
Tpsa:
87.09
Logp:
0.4867
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3