CS-1004478
Isosorbide Impurity 16
Manufacturer: ChemScene
CAS Number: 65940-93-4
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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
C₈H₁₂O₅
Molecular Weight
188.18
Synonyms
None
SMILES
O(C(C)=O)[C@H]1[C@@]2([C@@]([C@@H](O)CO2)(OC1)[H])[H]
Tpsa
64.99
Logp
-0.9234
H Acceptors
5
H Donors
1
Rotatable Bonds
1
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: C₈H₁₂O₅
Molecular Weight: 188.18
Synonyms: None
SMILES: O(C(C)=O)[C@H]1[C@@]2([C@@]([C@@H](O)CO2)(OC1)[H])[H]
Tpsa: 64.99
Logp: -0.9234
H Acceptors: 5
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:
C₈H₁₂O₅
Molecular Weight:
188.18
Synonyms:
None
SMILES:
O(C(C)=O)[C@H]1[C@@]2([C@@]([C@@H](O)CO2)(OC1)[H])[H]
Tpsa:
64.99
Logp:
-0.9234
H Acceptors:
5
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: C₂₆H₃₁FO₇
Molecular Weight: 474.52
Synonyms: None
SMILES: C[C@@]12[C@@]34[C@@](O3)(C[C@@]5(C)[C@]([C@@]4(C[C@H](F)C1=CC(=O)C=C2)[H])(C[C@@]6([C@@]5(C(COC(C)=O)=O)OC(C)(C)O6)[H])[H])[H]
Tpsa: 91.43
Logp: 3.006
H Acceptors: 7
H Donors: 0
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:
C₂₆H₃₁FO₇
Molecular Weight:
474.52
Synonyms:
None
SMILES:
C[C@@]12[C@@]34[C@@](O3)(C[C@@]5(C)[C@]([C@@]4(C[C@H](F)C1=CC(=O)C=C2)[H])(C[C@@]6([C@@]5(C(COC(C)=O)=O)OC(C)(C)O6)[H])[H])[H]
Tpsa:
91.43
Logp:
3.006
H Acceptors:
7
H Donors:
0
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: C₃₂H₄₀N₆O₉S₂
Molecular Weight: 716.82
Synonyms: None
SMILES: [C@H](C(N[C@@H](C(N[C@H](C(O)=O)[C@@]1(N[C@@H](C(O)=O)C(C)(C)S1)[H])=O)C2=CC=CC=C2)=O)(NC([C@H](N)C3=CC=CC=C3)=O)[C@@]4(N[C@@H](C(O)=O)C(C)(C)S4)[H]
Tpsa: 249.28
Logp: 0.3867
H Acceptors: 11
H Donors: 9
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₄₀N₆O₉S₂
Molecular Weight:
716.82
Synonyms:
None
SMILES:
[C@H](C(N[C@@H](C(N[C@H](C(O)=O)[C@@]1(N[C@@H](C(O)=O)C(C)(C)S1)[H])=O)C2=CC=CC=C2)=O)(NC([C@H](N)C3=CC=CC=C3)=O)[C@@]4(N[C@@H](C(O)=O)C(C)(C)S4)[H]
Tpsa:
249.28
Logp:
0.3867
H Acceptors:
11
H Donors:
9
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₉Cl₂NO₃
Molecular Weight: 310.13
Synonyms: None
SMILES: O=C(O)C(=O)C=1C=CC=CC1NC=2C(Cl)=CC=CC2Cl
Tpsa: 66.4
Logp: 4.0043
H Acceptors: 3
H Donors: 2
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:
C₁₄H₉Cl₂NO₃
Molecular Weight:
310.13
Synonyms:
None
SMILES:
O=C(O)C(=O)C=1C=CC=CC1NC=2C(Cl)=CC=CC2Cl
Tpsa:
66.4
Logp:
4.0043
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
4