Progoitrin
CAS Registry Number®
585-95-5
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CAS Name
ProgoitrinMolecular Formula
C11H19NO10S2Molecular Mass
389.40Cite this Page
Progoitrin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=585-95-5 (retrieved ) (CAS RN: 585-95-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
178-181 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/t5-,6+,8+,9-,10+,11-/m0/s1
InChIKey
InChIKey=MYHSVHWQEVDFQT-ILPXZUKPSA-N
SMILES
S(C(C[C@H](C=C)O)=NOS(=O)(=O)O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CC(O)C=C
Other Names for this Substance
- β-D-Glucopyranose, 1-thio-, 1-[(3R)-3-hydroxy-N-(sulfooxy)-4-pentenimidate]
- Glucopyranose, 1-thio-, 1-((R)-3-hydroxy-4-pentenohydroximate) NO-(hydrogen sulfate), β-D-
- Glucorapiferin
- β-D-Glucopyranose, 1-thio-, 1-[3-hydroxy-N-(sulfooxy)-4-pentenimidate], (R)-
- Progoitrin
Deleted or Replaced CAS Registry Numbers
585-94-4, 802323-33-7
