CS-1004414
Diquafosol Impurity 2
Manufacturer: ChemScene
CAS Number: 63785-59-1
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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
C₁₈H₂₅N₄O₂₀P₃
Molecular Weight
710.33
Synonyms
None
SMILES
O[C@H]1[C@@H](O[C@H](COP(OP(OP(OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C(=O)NC(=O)C=C3)(=O)O)(=O)O)(=O)O)[C@H]1O)N4C(=O)NC(=O)C=C4
Tpsa
357.92
Logp
-4.3072
H Acceptors
19
H Donors
9
Rotatable Bonds
12
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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: C₁₈H₂₅N₄O₂₀P₃
Molecular Weight: 710.33
Synonyms: None
SMILES: O[C@H]1[C@@H](O[C@H](COP(OP(OP(OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C(=O)NC(=O)C=C3)(=O)O)(=O)O)(=O)O)[C@H]1O)N4C(=O)NC(=O)C=C4
Tpsa: 357.92
Logp: -4.3072
H Acceptors: 19
H Donors: 9
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:
C₁₈H₂₅N₄O₂₀P₃
Molecular Weight:
710.33
Synonyms:
None
SMILES:
O[C@H]1[C@@H](O[C@H](COP(OP(OP(OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C(=O)NC(=O)C=C3)(=O)O)(=O)O)(=O)O)[C@H]1O)N4C(=O)NC(=O)C=C4
Tpsa:
357.92
Logp:
-4.3072
H Acceptors:
19
H Donors:
9
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: C₆HCl₃N₂O₄
Molecular Weight: 271.44
Synonyms: None
SMILES: O=N(=O)C=1C=C(C(Cl)=C(Cl)C1Cl)N(=O)=O
Tpsa: 86.28
Logp: 3.4632
H Acceptors: 4
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:
C₆HCl₃N₂O₄
Molecular Weight:
271.44
Synonyms:
None
SMILES:
O=N(=O)C=1C=C(C(Cl)=C(Cl)C1Cl)N(=O)=O
Tpsa:
86.28
Logp:
3.4632
H Acceptors:
4
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: C₁₅H₂₆O
Molecular Weight: 222.37
Synonyms: None
SMILES: C[C@@]12C(=C[C@H](C(C)(C)O)CC1)[C@H](C)CCC2
Tpsa: 20.23
Logp: 3.92
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₆O
Molecular Weight:
222.37
Synonyms:
None
SMILES:
C[C@@]12C(=C[C@H](C(C)(C)O)CC1)[C@H](C)CCC2
Tpsa:
20.23
Logp:
3.92
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄HN₅O
Molecular Weight: 135.08
Synonyms: None
SMILES: O=C1N=NN=C2N=CN=C12
Tpsa: 78.87
Logp: -0.2248
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 0
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄HN₅O
Molecular Weight:
135.08
Synonyms:
None
SMILES:
O=C1N=NN=C2N=CN=C12
Tpsa:
78.87
Logp:
-0.2248
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
0