CS-0137723
(7S,11R)-5-Hydroxy-4-methyl-6,7,10,11-tetrahydro-8H-7,11-epimino[1,3]dioxolo[4',5':5,6]benzo[1,2-d]oxocin-8-one
Manufacturer: ChemScene
CAS Number: 182201-52-1
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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
C₁₃H₁₃NO₅
Molecular Weight
263.25
Synonyms
None
SMILES
O=C1[C@](N2)([H])CC(C(O)=C(C)C3=C4OCO3)=C4[C@]2([H])CO1
Tpsa
77.02
Logp
0.54152
H Acceptors
6
H Donors
2
Rotatable Bonds
0
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 182201-52-1 | (7S,11R)-5-Hydroxy-4-methyl-6,7,10,11-tetrahydro-8H-7,11-epimino[1,3]dioxolo[4',5':5,6]benzo[1,2-d]oxocin-8-one | A2B Chem | -- |
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₃H₁₃NO₅
Molecular Weight: 263.25
Synonyms: None
SMILES: O=C1[C@](N2)([H])CC(C(O)=C(C)C3=C4OCO3)=C4[C@]2([H])CO1
Tpsa: 77.02
Logp: 0.54152
H Acceptors: 6
H Donors: 2
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:
C₁₃H₁₃NO₅
Molecular Weight:
263.25
Synonyms:
None
SMILES:
O=C1[C@](N2)([H])CC(C(O)=C(C)C3=C4OCO3)=C4[C@]2([H])CO1
Tpsa:
77.02
Logp:
0.54152
H Acceptors:
6
H Donors:
2
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: C₃₈H₄₆F₃N₃O₁₁SSi
Molecular Weight: 837.93
Synonyms: None
SMILES: O=C(N([C@]1([H])[C@@H]2C#N)[C@@](C(C(C1)=CC(O[S](C(F)(F)F)(=O)=O)=C3OC)=C3O)([H])[C@@](CC4=C5OCC=C)([H])N2[C@H](C4=C(OCO6)C6=C5C)CO[Si](C)(C)C(C)(C)C)OCC=C
Tpsa: 166.32
Logp: 6.7171
H Acceptors: 13
H Donors: 1
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:
C₃₈H₄₆F₃N₃O₁₁SSi
Molecular Weight:
837.93
Synonyms:
None
SMILES:
O=C(N([C@]1([H])[C@@H]2C#N)[C@@](C(C(C1)=CC(O[S](C(F)(F)F)(=O)=O)=C3OC)=C3O)([H])[C@@](CC4=C5OCC=C)([H])N2[C@H](C4=C(OCO6)C6=C5C)CO[Si](C)(C)C(C)(C)C)OCC=C
Tpsa:
166.32
Logp:
6.7171
H Acceptors:
13
H Donors:
1
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: C₃₂H₃₂F₃N₃O₁₁S
Molecular Weight: 723.67
Synonyms: None
SMILES: O=C(N([C@]1([H])[C@@H]2C#N)[C@@](C(C(C1)=CC(O[S](C(F)(F)F)(=O)=O)=C3OC)=C3O)([H])[C@@](CC4=C5OCC=C)([H])N2[C@H](C4=C(OCO6)C6=C5C)CO)OCC=C
Tpsa: 177.32
Logp: 3.6876
H Acceptors: 13
H Donors: 2
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:
C₃₂H₃₂F₃N₃O₁₁S
Molecular Weight:
723.67
Synonyms:
None
SMILES:
O=C(N([C@]1([H])[C@@H]2C#N)[C@@](C(C(C1)=CC(O[S](C(F)(F)F)(=O)=O)=C3OC)=C3O)([H])[C@@](CC4=C5OCC=C)([H])N2[C@H](C4=C(OCO6)C6=C5C)CO)OCC=C
Tpsa:
177.32
Logp:
3.6876
H Acceptors:
13
H Donors:
2
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: C₃₉H₅₆N₂O₁₁Si₂
Molecular Weight: 785.04
Synonyms: Carbamic acid, [(1S)-1-[[3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-methoxyphenyl]methyl]-2-oxo-2-[(7S,11R)-7,8,10,11-tetrahydro-5-hydroxy-4-methyl-8-oxo-6H-1,3-dioxolo[4,5-j][3]benzoxocin-7,11-imin-12-yl]ethyl]-, 2-propenyl ester (9CI)
SMILES: O=C(OCC=C)N[C@@H](CC1=CC(O[Si](C)(C(C)(C)C)C)=C(OC)C(O[Si](C)(C(C)(C)C)C)=C1)C(N2[C@@]3([H])CC(C(O)=C(C)C4=C5OCO4)=C5[C@]2([H])COC3=O)=O
Tpsa: 151.32
Logp: 7.08062
H Acceptors: 11
H Donors: 2
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:
C₃₉H₅₆N₂O₁₁Si₂
Molecular Weight:
785.04
Synonyms:
Carbamic acid, [(1S)-1-[[3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-methoxyphenyl]methyl]-2-oxo-2-[(7S,11R)-7,8,10,11-tetrahydro-5-hydroxy-4-methyl-8-oxo-6H-1,3-dioxolo[4,5-j][3]benzoxocin-7,11-imin-12-yl]ethyl]-, 2-propenyl ester (9CI)
SMILES:
O=C(OCC=C)N[C@@H](CC1=CC(O[Si](C)(C(C)(C)C)C)=C(OC)C(O[Si](C)(C(C)(C)C)C)=C1)C(N2[C@@]3([H])CC(C(O)=C(C)C4=C5OCO4)=C5[C@]2([H])COC3=O)=O
Tpsa:
151.32
Logp:
7.08062
H Acceptors:
11
H Donors:
2
Rotatable Bonds:
11