CS-0569670
(4AR,6S,7R,8S,8aS)-7-acetoxy-2-phenyl-6-(p-tolylthio)hexahydropyrano[3,2-d][1,3]dioxin-8-yl benzoate
Manufacturer: ChemScene
CAS Number: 1042430-52-3
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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
C₂₉H₂₈O₇S
Molecular Weight
520.59
Synonyms
None
SMILES
O=C(O[C@@H]([C@H]([C@@H](CO1)O2)OC1C3=CC=CC=C3)[C@@H](OC(C)=O)[C@@H]2SC4=CC=C(C)C=C4)C5=CC=CC=C5
Tpsa
80.29
Logp
5.08352
H Acceptors
8
H Donors
0
Rotatable Bonds
6
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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: C₂₉H₂₈O₇S
Molecular Weight: 520.59
Synonyms: None
SMILES: O=C(O[C@@H]([C@H]([C@@H](CO1)O2)OC1C3=CC=CC=C3)[C@@H](OC(C)=O)[C@@H]2SC4=CC=C(C)C=C4)C5=CC=CC=C5
Tpsa: 80.29
Logp: 5.08352
H Acceptors: 8
H Donors: 0
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:
C₂₉H₂₈O₇S
Molecular Weight:
520.59
Synonyms:
None
SMILES:
O=C(O[C@@H]([C@H]([C@@H](CO1)O2)OC1C3=CC=CC=C3)[C@@H](OC(C)=O)[C@@H]2SC4=CC=C(C)C=C4)C5=CC=CC=C5
Tpsa:
80.29
Logp:
5.08352
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₂Cl₃NO₁₁
Molecular Weight: 522.72
Synonyms: β-D-Glucopyranose, 2-deoxy-2-[[(2,2,2-trichloroethoxy)carbonyl]amino]-, 1,3,4,6-tetraacetate
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)OC(=O)C
Tpsa: 152.76
Logp: 1.1659
H Acceptors: 11
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₂Cl₃NO₁₁
Molecular Weight:
522.72
Synonyms:
β-D-Glucopyranose, 2-deoxy-2-[[(2,2,2-trichloroethoxy)carbonyl]amino]-, 1,3,4,6-tetraacetate
SMILES:
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)OC(=O)C
Tpsa:
152.76
Logp:
1.1659
H Acceptors:
11
H Donors:
1
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: C₃₀H₂₉NO₆S
Molecular Weight: 531.62
Synonyms: Ethyl 3-O-benzyl-4,6-O-benzylidene-2-deoxy-2-phthalimido-1-thio-β-D-glucopyranoside
SMILES: O=C(C1=C2C=CC=C1)N([C@H]([C@H]([C@@H]([C@@H](CO3)O4)O[C@@H]3C5=CC=CC=C5)OCC6=CC=CC=C6)[C@@H]4SCC)C2=O
Tpsa: 74.3
Logp: 4.8288
H Acceptors: 7
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:
C₃₀H₂₉NO₆S
Molecular Weight:
531.62
Synonyms:
Ethyl 3-O-benzyl-4,6-O-benzylidene-2-deoxy-2-phthalimido-1-thio-β-D-glucopyranoside
SMILES:
O=C(C1=C2C=CC=C1)N([C@H]([C@H]([C@@H]([C@@H](CO3)O4)O[C@@H]3C5=CC=CC=C5)OCC6=CC=CC=C6)[C@@H]4SCC)C2=O
Tpsa:
74.3
Logp:
4.8288
H Acceptors:
7
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: C₂₆H₂₃N₃O₅S
Molecular Weight: 489.54
Synonyms: Phenyl 3-O-benzoyl-4,6-O-benzylidene-2-deoxy-2-azido-1-thio-β-D-glucopyranoside
SMILES: [N-]=[N+]=N[C@H]([C@H]([C@@H]([C@@H](CO1)O2)OC1C3=CC=CC=C3)OC(C4=CC=CC=C4)=O)[C@@H]2SC5=CC=CC=C5
Tpsa: 102.75
Logp: 5.5223
H Acceptors: 7
H Donors: 0
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:
C₂₆H₂₃N₃O₅S
Molecular Weight:
489.54
Synonyms:
Phenyl 3-O-benzoyl-4,6-O-benzylidene-2-deoxy-2-azido-1-thio-β-D-glucopyranoside
SMILES:
[N-]=[N+]=N[C@H]([C@H]([C@@H]([C@@H](CO1)O2)OC1C3=CC=CC=C3)OC(C4=CC=CC=C4)=O)[C@@H]2SC5=CC=CC=C5
Tpsa:
102.75
Logp:
5.5223
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
6