CS-1172986
(((1S,3R,Z)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-((tert-Butyldimethylsilyl)oxy)-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diyl)bis(oxy))bis(tert-butyldimethylsilane) Calcitriol impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₄₅H₈₆O₃Si₃
Molecular Weight
759.42
Synonyms
None
SMILES
C=C1[C@H](O[Si](C)(C(C)(C)C)C)C[C@@H](O[Si](C)(C(C)(C)C)C)C/C1=C/C=C2[C@]3([H])CC[C@H]([C@@H](CCCC(C)(O[Si](C)(C(C)(C)C)C)C)C)[C@@]3(C)CCC/2
Tpsa
27.69
Logp
14.7932
H Acceptors
3
H Donors
0
Rotatable Bonds
12
Other Options
...
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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: C₄₅H₈₆O₃Si₃
Molecular Weight: 759.42
Synonyms: None
SMILES: C=C1[C@H](O[Si](C)(C(C)(C)C)C)C[C@@H](O[Si](C)(C(C)(C)C)C)C/C1=C/C=C2[C@]3([H])CC[C@H]([C@@H](CCCC(C)(O[Si](C)(C(C)(C)C)C)C)C)[C@@]3(C)CCC/2
Tpsa: 27.69
Logp: 14.7932
H Acceptors: 3
H Donors: 0
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:
C₄₅H₈₆O₃Si₃
Molecular Weight:
759.42
Synonyms:
None
SMILES:
C=C1[C@H](O[Si](C)(C(C)(C)C)C)C[C@@H](O[Si](C)(C(C)(C)C)C)C/C1=C/C=C2[C@]3([H])CC[C@H]([C@@H](CCCC(C)(O[Si](C)(C(C)(C)C)C)C)C)[C@@]3(C)CCC/2
Tpsa:
27.69
Logp:
14.7932
H Acceptors:
3
H Donors:
0
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: C₂₅H₃₄O₃
Molecular Weight: 382.54
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@@H](/C=C/[C@@H](C3CC3)O)C)([H])[C@@H](OC(C4=CC=CC=C4)=O)CCC1
Tpsa: 46.53
Logp: 5.3916
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₄O₃
Molecular Weight:
382.54
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@@H](/C=C/[C@@H](C3CC3)O)C)([H])[C@@H](OC(C4=CC=CC=C4)=O)CCC1
Tpsa:
46.53
Logp:
5.3916
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₅₈O₅Si₃
Molecular Weight: 571.02
Synonyms: (5R,6R)-5-((叔丁基二甲基硅烷基)氧基)-6-(3-((叔丁基二甲基硅烷基)氧基)丙氧基)-6-((R)-2,2,3,3-四甲基-3,6-二氢-2H-1,2-氧杂杨林-6-基)己-2-炔-1-醇 （艾迪骨化醇杂质）
SMILES: OCC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H](O[Si]1(C)C)C=CC1(C)C
Tpsa: 57.15
Logp: 7.5
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₅₈O₅Si₃
Molecular Weight:
571.02
Synonyms:
(5R,6R)-5-((叔丁基二甲基硅烷基)氧基)-6-(3-((叔丁基二甲基硅烷基)氧基)丙氧基)-6-((R)-2,2,3,3-四甲基-3,6-二氢-2H-1,2-氧杂杨林-6-基)己-2-炔-1-醇 （艾迪骨化醇杂质）
SMILES:
OCC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H](O[Si]1(C)C)C=CC1(C)C
Tpsa:
57.15
Logp:
7.5
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₃₂N₂O₄
Molecular Weight: 364.48
Synonyms: None
SMILES: O=C(C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N(CC=C)CC=C)C1)O
Tpsa: 78.87
Logp: 2.5222
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₃₂N₂O₄
Molecular Weight:
364.48
Synonyms:
None
SMILES:
O=C(C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N(CC=C)CC=C)C1)O
Tpsa:
78.87
Logp:
2.5222
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
11