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Chemical structure of CHAPS hydrate

GC75549

CHAPS hydrate

Also known as 3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]propane-1-sulfonate;hydrate

CHAPS hydrate, a derivative of Cholic acid, is a zwitterionic detergent for solubilizing membrane proteins

ChemicalCAS331717-45-4MW632.89FormulaC32H60N2O8S
CAS number
331717-45-4
Molecular weight
632.89
Formula
C32H60N2O8S
Solubility
DMSO： 10·87 mg/mL (17·18 mM; ultrasonic and warming and heat to 60°C)
InChIKey
SJCUTFKCLFLIFE-JWTJKVBLSA-N
Catalogue number
GC75549
Brand
GLPBIO
Computed properties PubChem CID 45051717 · TPSA 156 Ų · H-bond donors 5 · H-bond acceptors 8
TPSA
156 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
43

SMILES C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O

Computed descriptors from PubChem (CID 45051717), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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