CS-1173007
(((1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-7a-Methyl-1-((R)-6-methylhept-6-en-2-yl)octahydro-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
C₃₉H₇₀O₂Si₂
Molecular Weight
627.14
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)=C)C)[C@@]3(C)CCC/2
Tpsa
18.46
Logp
12.5689
H Acceptors
2
H Donors
0
Rotatable Bonds
10
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: C₃₉H₇₀O₂Si₂
Molecular Weight: 627.14
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)=C)C)[C@@]3(C)CCC/2
Tpsa: 18.46
Logp: 12.5689
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₉H₇₀O₂Si₂
Molecular Weight:
627.14
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)=C)C)[C@@]3(C)CCC/2
Tpsa:
18.46
Logp:
12.5689
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₂H₇₉NO₁₃
Molecular Weight: 926.18
Synonyms: None
SMILES: O=C(C1(O)[C@H](C)CC[C@@H](C[C@H](OC)/C(C)=C/C=C/C=C/[C@@H](C)C[C@@H](C)C([C@H](OC)[C@H](O)/C(C)=C/[C@@H](C)C(C[C@@H]([C@H](C)C[C@H]2CC(OCCO3)C3CC2)O4)=O)=O)O1)C(N5CCCC[C@H]5C4=O)=O
Tpsa: 184.43
Logp: 6.5887
H Acceptors: 13
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:
C₅₂H₇₉NO₁₃
Molecular Weight:
926.18
Synonyms:
None
SMILES:
O=C(C1(O)[C@H](C)CC[C@@H](C[C@H](OC)/C(C)=C/C=C/C=C/[C@@H](C)C[C@@H](C)C([C@H](OC)[C@H](O)/C(C)=C/[C@@H](C)C(C[C@@H]([C@H](C)C[C@H]2CC(OCCO3)C3CC2)O4)=O)=O)O1)C(N5CCCC[C@H]5C4=O)=O
Tpsa:
184.43
Logp:
6.5887
H Acceptors:
13
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: C₂₇H₄₄O₃
Molecular Weight: 416.64
Synonyms: None
SMILES: O[C@H]1C[C@H](O)C(/C(C1)=C\C=C2[C@]3([H])CC[C@H]([C@@H](CCCC(C)(O)C)C)[C@@]3(C)CCC/2)=C
Tpsa: 60.69
Logp: 5.7047
H Acceptors: 3
H Donors: 3
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:
C₂₇H₄₄O₃
Molecular Weight:
416.64
Synonyms:
None
SMILES:
O[C@H]1C[C@H](O)C(/C(C1)=C\C=C2[C@]3([H])CC[C@H]([C@@H](CCCC(C)(O)C)C)[C@@]3(C)CCC/2)=C
Tpsa:
60.69
Logp:
5.7047
H Acceptors:
3
H Donors:
3
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: C₂₇H₄₀O₃
Molecular Weight: 412.60
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@]2([H])[C@H](C)/C=C/[C@@H](C3CC3)O)([H])/C(CCC1)=C/C=C4C([C@@H](C[C@@H](C\4)O)O)=C
Tpsa: 60.69
Logp: 5.0906
H Acceptors: 3
H Donors: 3
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:
C₂₇H₄₀O₃
Molecular Weight:
412.60
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@]2([H])[C@H](C)/C=C/[C@@H](C3CC3)O)([H])/C(CCC1)=C/C=C4C([C@@H](C[C@@H](C\4)O)O)=C
Tpsa:
60.69
Logp:
5.0906
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
5