trisodium;4-(chlorosulfamoyl)benzoate;dodecyl sulfate;4-[(3S,4R)-4-(4-hydroxyphenyl)hexan-3-yl]phenol;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
Basic information
- CAS
79102-60-6- Standard SMILES
CCCCCCCCCCCCOS(=O)(=O)[O-].CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1.O=C([O-])c1ccc(S(=O)(=O)NCl)cc1.O=C[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[Na+].[Na+].[Na+]- InChIKey
QXAPRBFSWJPBCF-ZQRBEWHESA-L- Molecular formula
- C49H74ClNNa3O21S2+
- Average molar mass
- 1,181.7 g/mol
- Monoisotopic mass
- 1,180.3576363
Names & identifiers
- Preferred name
- trisodium;4-(chlorosulfamoyl)benzoate;dodecyl sulfate;4-[(3S,4R)-4-(4-hydroxyphenyl)hexan-3-yl]phenol;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
- IUPAC
- trisodium;4-(chlorosulfamoyl)benzoate;dodecyl sulfate;4-[(3S,4R)-4-(4-hydroxyphenyl)hexan-3-yl]phenol;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
Names & synonyms
T 126679102-60-6T-1266D-Glucose, 4-O-beta-D-galactopyranosyl-, mixt. with 4-((chloroamino)sulfonyl)benzoic acid disodium salt, (R*,S*)-4,4'-(1,2-diethyl-1,2-ethanediyl)bis(phenol) and sodium monodecyl sulfate
Database identifiers
- CAS
79102-60-6- PubChem CID
- 192196
Properties
Computed structural properties
- Topological polar surface area
- 407 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 26
- Heavy atoms
- 77
- Formal charge
- 1
- Complexity
- 1,130
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