CS-1173017
(R)-2-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-Bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)propanal Calcitriol impurity
Manufacturer: ChemScene
CAS Number: 115648-67-4
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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
C₃₄H₆₀O₃Si₂
Molecular Weight
573.01
Synonyms
None
SMILES
C[C@@]12[C@](CC[C@@H]2[C@H](C=O)C)([H])/C(CCC1)=C/C=C3C([C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C/3)=C
Tpsa
35.53
Logp
10.0214
H Acceptors
3
H Donors
0
Rotatable Bonds
7
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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-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: C₃₄H₆₀O₃Si₂
Molecular Weight: 573.01
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@H](C=O)C)([H])/C(CCC1)=C/C=C3C([C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C/3)=C
Tpsa: 35.53
Logp: 10.0214
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₆₀O₃Si₂
Molecular Weight:
573.01
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@H](C=O)C)([H])/C(CCC1)=C/C=C3C([C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C/3)=C
Tpsa:
35.53
Logp:
10.0214
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₄₄O₂
Molecular Weight: 412.65
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@H](/C=C/[C@H](C)C(C)(C)O)C)([H])/C(CCC1)=C/C=C3C[C@@H](O)CCC/3=C
Tpsa: 40.46
Logp: 6.7559
H Acceptors: 2
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:
C₂₈H₄₄O₂
Molecular Weight:
412.65
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@H](/C=C/[C@H](C)C(C)(C)O)C)([H])/C(CCC1)=C/C=C3C[C@@H](O)CCC/3=C
Tpsa:
40.46
Logp:
6.7559
H Acceptors:
2
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: C₃₁H₆₃ClO₄Si₃
Molecular Weight: 619.54
Synonyms: None
SMILES: C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CC#CCCl
Tpsa: 36.92
Logp: 9.7727
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₆₃ClO₄Si₃
Molecular Weight:
619.54
Synonyms:
None
SMILES:
C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CC#CCCl
Tpsa:
36.92
Logp:
9.7727
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₉H₉₇NO₁₄Si
Molecular Weight: 1072.49
Synonyms: None
SMILES: O=C(C(N1CCCC[C@H]12)=O)C3([C@@H](CC[C@H](O3)C[C@@H](/C(C)=C/C=C/C=C/[C@H](C[C@H](/C(OCCO[Si](C)(C(C)(C)C)C)=C([C@@H](/C(C)=C/[C@H](C(C[C@H](OC2=O)[C@@H](C[C@H]4C[C@H]([C@@H](CC4)O)OC)C)=O)C)O)/OC)C)C)OC)C)O
Tpsa: 196.82
Logp: 9.4929
H Acceptors: 14
H Donors: 3
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:
C₅₉H₉₇NO₁₄Si
Molecular Weight:
1072.49
Synonyms:
None
SMILES:
O=C(C(N1CCCC[C@H]12)=O)C3([C@@H](CC[C@H](O3)C[C@@H](/C(C)=C/C=C/C=C/[C@H](C[C@H](/C(OCCO[Si](C)(C(C)(C)C)C)=C([C@@H](/C(C)=C/[C@H](C(C[C@H](OC2=O)[C@@H](C[C@H]4C[C@H]([C@@H](CC4)O)OC)C)=O)C)O)/OC)C)C)OC)C)O
Tpsa:
196.82
Logp:
9.4929
H Acceptors:
14
H Donors:
3
Rotatable Bonds:
11