CS-0640853
3-Ethyl 5-methyl 4-(2-chlorophenyl)-2-((2-(((3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)amino)ethoxy)methyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Manufacturer: ChemScene
CAS Number: 2173291-00-2
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Purity
98%
MDL No
None
Storage
4°C, protect from light
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₂H₄₅ClN₂O₁₅
Molecular Weight
733.16
Synonyms
None
SMILES
CCOC(C1=C(COCCNC2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO)CO)NC(C)=C(C(OC)=O)C1C4=C(Cl)C=CC=C4)=O
Tpsa
255.19
Logp
-2.4787
H Acceptors
17
H Donors
9
Rotatable Bonds
14
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-P330-P362+P364-P405-P501
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Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₄₅ClN₂O₁₅
Molecular Weight: 733.16
Synonyms: None
SMILES: CCOC(C1=C(COCCNC2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO)CO)NC(C)=C(C(OC)=O)C1C4=C(Cl)C=CC=C4)=O
Tpsa: 255.19
Logp: -2.4787
H Acceptors: 17
H Donors: 9
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₄₅ClN₂O₁₅
Molecular Weight:
733.16
Synonyms:
None
SMILES:
CCOC(C1=C(COCCNC2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO)CO)NC(C)=C(C(OC)=O)C1C4=C(Cl)C=CC=C4)=O
Tpsa:
255.19
Logp:
-2.4787
H Acceptors:
17
H Donors:
9
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₆N₂O₆S₂
Molecular Weight: 324.37
Synonyms: None
SMILES: O=C(CNC(C(C)SSC(C)C(NCC(O)=O)=O)=O)O
Tpsa: 132.8
Logp: -0.4536
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₆N₂O₆S₂
Molecular Weight:
324.37
Synonyms:
None
SMILES:
O=C(CNC(C(C)SSC(C)C(NCC(O)=O)=O)=O)O
Tpsa:
132.8
Logp:
-0.4536
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₇NO₃
Molecular Weight: 271.31
Synonyms: None
SMILES: CN(CC(C1=CC=C(O)C(O)=C1)=O)CC2=CC=CC=C2
Tpsa: 60.77
Logp: 2.4125
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₇NO₃
Molecular Weight:
271.31
Synonyms:
None
SMILES:
CN(CC(C1=CC=C(O)C(O)=C1)=O)CC2=CC=CC=C2
Tpsa:
60.77
Logp:
2.4125
H Acceptors:
4
H Donors:
2
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: C₁₅H₂₄
Molecular Weight: 204.35
Synonyms: None
SMILES: CC([C@H]1[C@]2([H])[C@](CCC(C)=C2)([H])[C@@H](CC1)C)=C
Tpsa: 0
Logp: 4.5811
H Acceptors: 0
H Donors: 0
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:
C₁₅H₂₄
Molecular Weight:
204.35
Synonyms:
None
SMILES:
CC([C@H]1[C@]2([H])[C@](CCC(C)=C2)([H])[C@@H](CC1)C)=C
Tpsa:
0
Logp:
4.5811
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
1