CS-0609119
(1R,2R,3R)-5-((Z)-2-((1R,3aS,7aR)-1-((R)-6-Hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)vinyl)-2-(3-hydroxypropoxy)-4-methylcyclohex-4-ene-1,3-diol
Manufacturer: ChemScene
CAS Number: 2767262-86-0
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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
C₃₀H₅₀O₅
Molecular Weight
490.72
Synonyms
None
SMILES
C[C@@]12[C@@](CC[C@]2([H])[C@H](C)CCCC(C)(O)C)([H])C(/C=C\C3=C([C@H]([C@@H]([C@@H](C3)O)OCCCO)O)C)=CCC1
Tpsa
90.15
Logp
5.0822
H Acceptors
5
H Donors
4
Rotatable Bonds
11
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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: C₃₀H₅₀O₅
Molecular Weight: 490.72
Synonyms: None
SMILES: C[C@@]12[C@@](CC[C@]2([H])[C@H](C)CCCC(C)(O)C)([H])C(/C=C\C3=C([C@H]([C@@H]([C@@H](C3)O)OCCCO)O)C)=CCC1
Tpsa: 90.15
Logp: 5.0822
H Acceptors: 5
H Donors: 4
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:
C₃₀H₅₀O₅
Molecular Weight:
490.72
Synonyms:
None
SMILES:
C[C@@]12[C@@](CC[C@]2([H])[C@H](C)CCCC(C)(O)C)([H])C(/C=C\C3=C([C@H]([C@@H]([C@@H](C3)O)OCCCO)O)C)=CCC1
Tpsa:
90.15
Logp:
5.0822
H Acceptors:
5
H Donors:
4
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: C₁₃H₂₁NO₄
Molecular Weight: 255.31
Synonyms: None
SMILES: O=C(N(CCC1)CC1(OCC2)C2=O)OC(C)(C)C
Tpsa: 55.84
Logp: 1.7455
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₁NO₄
Molecular Weight:
255.31
Synonyms:
None
SMILES:
O=C(N(CCC1)CC1(OCC2)C2=O)OC(C)(C)C
Tpsa:
55.84
Logp:
1.7455
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂N₂O₃
Molecular Weight: 184.19
Synonyms: None
SMILES: O=C(C1=NOC(C(C)(C)C)=N1)OC
Tpsa: 65.22
Logp: 1.1537
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₂N₂O₃
Molecular Weight:
184.19
Synonyms:
None
SMILES:
O=C(C1=NOC(C(C)(C)C)=N1)OC
Tpsa:
65.22
Logp:
1.1537
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₄BrClIN
Molecular Weight: 332.36
Synonyms: None
SMILES: NC1=CC(Cl)=C(I)C(Br)=C1
Tpsa: 26.02
Logp: 3.2893
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₄BrClIN
Molecular Weight:
332.36
Synonyms:
None
SMILES:
NC1=CC(Cl)=C(I)C(Br)=C1
Tpsa:
26.02
Logp:
3.2893
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0