CS-1172996
(2R,3S,6R,E)-1-((1S,3R,4R)-4-Hydroxy-3-methoxycyclohexyl)-2,6,8-trimethyl-5,9-dioxonon-7-en-3-yl (S)-1-(2-((2R,3R,6S)-6-((2S,3E,5E,7E,9S,11R)-2,13-dimethoxy-3,9,11-trimethyl-12-oxotrideca-3,5,7-trien-1-yl)-2-hydroxy-3-methyltetrahydro-2H-pyran-2-yl)-2-oxoacetyl)piperidine-2-carboxylate everolimus Impurity
Manufacturer: ChemScene
CAS Number: 147438-29-7
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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
C₅₁H₇₉NO₁₃
Molecular Weight
914.17
Synonyms
None
SMILES
O=C([C@@]1(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(COC)=O)O1)C(N2CCCC[C@H]2C(O[C@H]([C@H](C)C[C@H]3C[C@@H](OC)[C@H](O)CC3)CC([C@H](C)/C=C(C)/C=O)=O)=O)=O
Tpsa
192.27
Logp
6.6364
H Acceptors
13
H Donors
2
Rotatable Bonds
25
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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: C₅₁H₇₉NO₁₃
Molecular Weight: 914.17
Synonyms: None
SMILES: O=C([C@@]1(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(COC)=O)O1)C(N2CCCC[C@H]2C(O[C@H]([C@H](C)C[C@H]3C[C@@H](OC)[C@H](O)CC3)CC([C@H](C)/C=C(C)/C=O)=O)=O)=O
Tpsa: 192.27
Logp: 6.6364
H Acceptors: 13
H Donors: 2
Rotatable Bonds: 25
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₁H₇₉NO₁₃
Molecular Weight:
914.17
Synonyms:
None
SMILES:
O=C([C@@]1(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(COC)=O)O1)C(N2CCCC[C@H]2C(O[C@H]([C@H](C)C[C@H]3C[C@@H](OC)[C@H](O)CC3)CC([C@H](C)/C=C(C)/C=O)=O)=O)=O
Tpsa:
192.27
Logp:
6.6364
H Acceptors:
13
H Donors:
2
Rotatable Bonds:
25
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₃₀O₄Si
Molecular Weight: 302.48
Synonyms: None
SMILES: C=C[C@@H](O)[C@@H]([C@H]1CO1)OCCCO[Si](C)(C)C(C)(C)C
Tpsa: 51.22
Logp: 2.7292
H Acceptors: 4
H Donors: 1
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:
C₁₅H₃₀O₄Si
Molecular Weight:
302.48
Synonyms:
None
SMILES:
C=C[C@@H](O)[C@@H]([C@H]1CO1)OCCCO[Si](C)(C)C(C)(C)C
Tpsa:
51.22
Logp:
2.7292
H Acceptors:
4
H Donors:
1
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: C₂₇H₄₂O₂
Molecular Weight: 398.62
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@]2([H])[C@H](C)CCCC(C)=C)([H])/C(CCC1)=C/C=C3C([C@H](C[C@@H](C\3)O)O)=C
Tpsa: 40.46
Logp: 6.5099
H Acceptors: 2
H Donors: 2
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:
C₂₇H₄₂O₂
Molecular Weight:
398.62
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@]2([H])[C@H](C)CCCC(C)=C)([H])/C(CCC1)=C/C=C3C([C@H](C[C@@H](C\3)O)O)=C
Tpsa:
40.46
Logp:
6.5099
H Acceptors:
2
H Donors:
2
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: C₆₇H₁₁₅NO₁₅Si₂
Molecular Weight: 1230.80
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([C@@H]([C@@H](/C(C)=C/[C@H](C(C[C@H](OC2=O)[C@@H](C[C@H]4C[C@H]([C@@H](CC4)OCCO[Si](C(C)(C)C)(C)C)OC)C)=O)C)OCCO[Si](C)(C(C)(C)C)C)OC)=O)C)C)OC)C)O
Tpsa: 191.89
Logp: 12.2728
H Acceptors: 15
H Donors: 1
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₇H₁₁₅NO₁₅Si₂
Molecular Weight:
1230.80
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([C@@H]([C@@H](/C(C)=C/[C@H](C(C[C@H](OC2=O)[C@@H](C[C@H]4C[C@H]([C@@H](CC4)OCCO[Si](C(C)(C)C)(C)C)OC)C)=O)C)OCCO[Si](C)(C(C)(C)C)C)OC)=O)C)C)OC)C)O
Tpsa:
191.89
Logp:
12.2728
H Acceptors:
15
H Donors:
1
Rotatable Bonds:
16