CS-1173035
(((1R,2R,3R,Z)-2-(3-((tert-Butyldimethylsilyl)oxy)propoxy)-5-(2-((1R,3aS,7aR,E)-7a-methyl-1-((R)-6-methylhept-5-en-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diyl)bis(oxy))bis(tert-butyldimethylsilane) eddie calcitriol impurity
Manufacturer: ChemScene
CAS Number: 2996064-11-8
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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
C₄₈H₉₀O₄Si₃
Molecular Weight
815.48
Synonyms
None
SMILES
C=C1[C@@H](O[Si](C)(C(C)(C)C)C)[C@H](OCCCO[Si](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](CC/C=C(C)\C)C)[C@@]3(C)CCC/2
Tpsa
36.92
Logp
14.9759
H Acceptors
4
H Donors
0
Rotatable Bonds
15
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: C₄₈H₉₀O₄Si₃
Molecular Weight: 815.48
Synonyms: None
SMILES: C=C1[C@@H](O[Si](C)(C(C)(C)C)C)[C@H](OCCCO[Si](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](CC/C=C(C)\C)C)[C@@]3(C)CCC/2
Tpsa: 36.92
Logp: 14.9759
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:
C₄₈H₉₀O₄Si₃
Molecular Weight:
815.48
Synonyms:
None
SMILES:
C=C1[C@@H](O[Si](C)(C(C)(C)C)C)[C@H](OCCCO[Si](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](CC/C=C(C)\C)C)[C@@]3(C)CCC/2
Tpsa:
36.92
Logp:
14.9759
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: C₂₁H₃₅NO₆
Molecular Weight: 397.51
Synonyms: None
SMILES: CCC(O[C@H]1[C@@H]([C@H](CC(C(C(OCC)=O)=O)=C1)N(C(C)(C)C)C(C)=O)O)CC
Tpsa: 93.14
Logp: 2.399
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₃₅NO₆
Molecular Weight:
397.51
Synonyms:
None
SMILES:
CCC(O[C@H]1[C@@H]([C@H](CC(C(C(OCC)=O)=O)=C1)N(C(C)(C)C)C(C)=O)O)CC
Tpsa:
93.14
Logp:
2.399
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₅₆O₂Si
Molecular Weight: 452.83
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@@H](CCCC(C)(O[Si](CC)(CC)CC)C)C)([H])C(O)(CCCC)CCC1
Tpsa: 29.46
Logp: 8.7309
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₅₆O₂Si
Molecular Weight:
452.83
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@@H](CCCC(C)(O[Si](CC)(CC)CC)C)C)([H])C(O)(CCCC)CCC1
Tpsa:
29.46
Logp:
8.7309
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₇NO₇
Molecular Weight: 439.54
Synonyms: None
SMILES: CCC(O[C@H]1[C@@H]([C@H](CC(C(C(OCC)=O)=O)=C1)N(C(C)(C)C)C(C)=O)OC(C)=O)CC
Tpsa: 99.21
Logp: 2.9698
H Acceptors: 7
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:
C₂₃H₃₇NO₇
Molecular Weight:
439.54
Synonyms:
None
SMILES:
CCC(O[C@H]1[C@@H]([C@H](CC(C(C(OCC)=O)=O)=C1)N(C(C)(C)C)C(C)=O)OC(C)=O)CC
Tpsa:
99.21
Logp:
2.9698
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
9