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Calcium pantetheine-S-sulfonate

Calcium pantetheine-S-sulfonate structure

Calcium pantetheine-S-sulfonate 

structure
  • CAS No:

    34644-00-3

  • Formula:

    C11H22N2O7S2.1/2Ca

  • Chemical Name:

    Calcium pantetheine-S-sulfonate

  • Synonyms:

    Thiosulfuric acid (H2S2O3),S-[2-[[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester,calcium salt (2:1);Thiosulfuric acid (H2S2O3),S-[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethyl] ester,calcium salt (2:1),(R)-;Calcium D-pantetheine-S-sulfonate;Pantetheine-S-sulfonic acid calcium salt;Pantetheine S-sulfate calcium salt;Calcium pantetheine-S-sulfonate;64778-83-2

  • Categories:

    Cosmetic Ingredient  >  Hair Conditioning

Calcium pantetheine-S-sulfonate Basic Attributes

754.9 g/mol

754.1206276 g/mol

446-480-9

Characteristics

379 Ų

Safety Information

|Danger|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Calcium pantetheine-S-sulfonate Use and Manufacturing

Cosmetics -> Hair conditioning

Computed Properties

Molecular Weight:754.9
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:18
Exact Mass:754.1206276
Monoisotopic Mass:754.1206276
Topological Polar Surface Area:379
Heavy Atom Count:45
Complexity:460
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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