CS-0134239
((3aR,4R,6R,6aR)-6-Methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl benzoate
Manufacturer: ChemScene
CAS Number: 5517-60-2
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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
C₁₆H₂₀O₆
Molecular Weight
308.33
Synonyms
methyl 3'-O-benzoyl-2,3-O-isopropylidene-β-D-apiofuranoside
SMILES
CC1(O[C@H]([C@@H]([C@@H](COC(C2=CC=CC=C2)=O)O3)O1)[C@@H]3OC)C
Tpsa
63.22
Logp
1.7348
H Acceptors
6
H Donors
0
Rotatable Bonds
4
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: C₁₆H₂₀O₆
Molecular Weight: 308.33
Synonyms: methyl 3'-O-benzoyl-2,3-O-isopropylidene-β-D-apiofuranoside
SMILES: CC1(O[C@H]([C@@H]([C@@H](COC(C2=CC=CC=C2)=O)O3)O1)[C@@H]3OC)C
Tpsa: 63.22
Logp: 1.7348
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₀O₆
Molecular Weight:
308.33
Synonyms:
methyl 3'-O-benzoyl-2,3-O-isopropylidene-β-D-apiofuranoside
SMILES:
CC1(O[C@H]([C@@H]([C@@H](COC(C2=CC=CC=C2)=O)O3)O1)[C@@H]3OC)C
Tpsa:
63.22
Logp:
1.7348
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₀O₆
Molecular Weight: 308.33
Synonyms: β-L-Ribofuranoside, methyl 2,3-O-(1-methylethylidene)-, benzoate (9CI)
SMILES: CC1(O[C@@H]([C@H]([C@H](COC(C2=CC=CC=C2)=O)O3)O1)[C@H]3OC)C
Tpsa: 63.22
Logp: 1.7348
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₀O₆
Molecular Weight:
308.33
Synonyms:
β-L-Ribofuranoside, methyl 2,3-O-(1-methylethylidene)-, benzoate (9CI)
SMILES:
CC1(O[C@@H]([C@H]([C@H](COC(C2=CC=CC=C2)=O)O3)O1)[C@H]3OC)C
Tpsa:
63.22
Logp:
1.7348
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD00058052
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₉ClN₂O₂S
Molecular Weight: 314.83
Synonyms: W-12 Hydrochloride
SMILES: O=S(C1=CC=C2C=CC=CC2=C1)(NCCCCN)=O.[H]Cl
Tpsa: 72.19
Logp: 2.2788
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
MFCD00058052
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₉ClN₂O₂S
Molecular Weight:
314.83
Synonyms:
W-12 Hydrochloride
SMILES:
O=S(C1=CC=C2C=CC=CC2=C1)(NCCCCN)=O.[H]Cl
Tpsa:
72.19
Logp:
2.2788
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: MFCD16293882
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₀BrClFN₃
Molecular Weight: 294.55
Synonyms: None
SMILES: FC1=C(NC2=NCCN2)C(Br)=CC=C1.[H]Cl
Tpsa: 36.42
Logp: 2.3811
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD16293882
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₀BrClFN₃
Molecular Weight:
294.55
Synonyms:
None
SMILES:
FC1=C(NC2=NCCN2)C(Br)=CC=C1.[H]Cl
Tpsa:
36.42
Logp:
2.3811
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1