β-Cyclodextrin, 6A,6B,6C,6D,6E,6F,6G-heptakis-S-(2-carboxyethyl)-6A,6B,6C,6D,6E,6F,6G-heptathio-, sodium salt 1:7
Manufacturer: ChemScene
CAS Number: 426267-22-3
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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
C₆₃H₉₈NaO₄₂S₇
Molecular Weight
1774.87
Synonyms
None
SMILES
C(SCCC(O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CSCCC(O)=O)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)(C(O)[C@H]2O)[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)C7O)[H])[H])([C@H](O)C6O)[H])[H])[H])[H])[H])[H])[H])[H])[H].[Na]
Tpsa
673.54
Logp
-7.1022
H Acceptors
42
H Donors
21
Rotatable Bonds
35
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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: C₆₃H₉₈NaO₄₂S₇
Molecular Weight: 1774.87
Synonyms: None
SMILES: C(SCCC(O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CSCCC(O)=O)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)(C(O)[C@H]2O)[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)C7O)[H])[H])([C@H](O)C6O)[H])[H])[H])[H])[H])[H])[H])[H])[H].[Na]
Tpsa: 673.54
Logp: -7.1022
H Acceptors: 42
H Donors: 21
Rotatable Bonds: 35
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₁₂O₄S
Molecular Weight: 168.21
Synonyms: None
SMILES: O=S(=O)(OCCCCO)C
Tpsa: 63.6
Logp: -0.2649
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 5
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₃₄O₅
Molecular Weight: 462.58
Synonyms: None
SMILES: C(=C/[C@@](CCCCC)(C)O)\[C@@H]1[C@@]2([C@](C[C@H]1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)(OC(=O)C2)[H])[H]
Tpsa: 72.83
Logp: 5.7181
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 9
