CS-0653506
(3aR,4R,5R,6aS)-5-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-4-[(1E,3S)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one
Manufacturer: ChemScene
CAS Number: 2557327-05-4
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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
C₃₀H₄₇F₃O₅Si₂
Molecular Weight
600.86
Synonyms
None
SMILES
O=C1C[C@@]([C@@H](/C=C/[C@H](O[Si](C)(C(C)(C)C)C)COC2=CC=CC(C(F)(F)F)=C2)[C@H](O[Si](C)(C(C)(C)C)C)C3)([H])[C@@]3([H])O1
Tpsa
53.99
Logp
8.3728
H Acceptors
5
H Donors
0
Rotatable Bonds
9
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: C₃₀H₄₇F₃O₅Si₂
Molecular Weight: 600.86
Synonyms: None
SMILES: O=C1C[C@@]([C@@H](/C=C/[C@H](O[Si](C)(C(C)(C)C)C)COC2=CC=CC(C(F)(F)F)=C2)[C@H](O[Si](C)(C(C)(C)C)C)C3)([H])[C@@]3([H])O1
Tpsa: 53.99
Logp: 8.3728
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₄₇F₃O₅Si₂
Molecular Weight:
600.86
Synonyms:
None
SMILES:
O=C1C[C@@]([C@@H](/C=C/[C@H](O[Si](C)(C(C)(C)C)C)COC2=CC=CC(C(F)(F)F)=C2)[C@H](O[Si](C)(C(C)(C)C)C)C3)([H])[C@@]3([H])O1
Tpsa:
53.99
Logp:
8.3728
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₂O₂
Molecular Weight: 212.24
Synonyms: None
SMILES: O=C(C1=CC=C(C2=CC=CC=C2)C=C1)OC
Tpsa: 26.3
Logp: 3.1402
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:
C₁₄H₁₂O₂
Molecular Weight:
212.24
Synonyms:
None
SMILES:
O=C(C1=CC=C(C2=CC=CC=C2)C=C1)OC
Tpsa:
26.3
Logp:
3.1402
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: C₁₈H₂₆N₄O₂₃P₄
Molecular Weight: 790.31
Synonyms: None
SMILES: O[C@H]1[C@H](N2C(NC(C=C2)=O)=O)O[C@@H]([C@H]1O)COP(OP(OP(OP(OC[C@H]3O[C@@H](N4C(NC(C=C4)=O)=O)[C@@H]([C@@H]3O)O)(O)=O)(O)=O)(O)=O)(O)=O
Tpsa: 404.45
Logp: -4.1902
H Acceptors: 21
H Donors: 10
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₆N₄O₂₃P₄
Molecular Weight:
790.31
Synonyms:
None
SMILES:
O[C@H]1[C@H](N2C(NC(C=C2)=O)=O)O[C@@H]([C@H]1O)COP(OP(OP(OP(OC[C@H]3O[C@@H](N4C(NC(C=C4)=O)=O)[C@@H]([C@@H]3O)O)(O)=O)(O)=O)(O)=O)(O)=O
Tpsa:
404.45
Logp:
-4.1902
H Acceptors:
21
H Donors:
10
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: Store at room temperature, keep dry and cool
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₆ClNO
Molecular Weight: 213.70
Synonyms: None
SMILES: CC[C@@H](N)C1=CC=C2C(CCO2)=C1.[H]Cl
Tpsa: 35.25
Logp: 2.4531
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Store at room temperature, keep dry and cool
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₆ClNO
Molecular Weight:
213.70
Synonyms:
None
SMILES:
CC[C@@H](N)C1=CC=C2C(CCO2)=C1.[H]Cl
Tpsa:
35.25
Logp:
2.4531
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2