Cas no 124858-37-3 (5-DEHYDROXYPARATOCARPIN K)

5-DEHYDROXYPARATOCARPIN K structure
5-DEHYDROXYPARATOCARPIN K structure
Product Name:5-DEHYDROXYPARATOCARPIN K
CAS No:124858-37-3
MF:C20H18O4
MW:322.35500
CID:1080691
PubChem ID:11515298
Update Time:2024-11-02

5-DEHYDROXYPARATOCARPIN K Chemical and Physical Properties

Names and Identifiers

    • 5-Dehydroxyparatocarpin K
    • [ "" ]
    • (2S)-2-(4-Hydroxyphenyl)-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-4(3H)-one
    • CID 11515298
    • 5-DehydroxyparatocarpinK
    • FS-8691
    • (8S)-7,8-Dihydro-8-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one; 7,8-Dihydro-8-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-[1,2-b:5,4-b]dipyran-6'-one
    • AKOS040761173
    • 124858-37-3
    • 2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7,8-dihydro-8-(4-hydroxyphenyl)-2,2-dimethyl-, (8S)-
    • (8S)-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
    • 2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7,8-dihydro-8-(4-hydroxyphenyl)-2,2-dimethyl-, (S)-
    • 5-DEHYDROXYPARATOCARPIN K
    • Inchi: 1S/C20H18O4/c1-20(2)8-7-13-9-15-16(22)10-17(12-3-5-14(21)6-4-12)23-19(15)11-18(13)24-20/h3-9,11,17,21H,10H2,1-2H3/t17-/m0/s1
    • InChI Key: AZNAWXMYPBINIJ-KRWDZBQOSA-N
    • SMILES: O1C2C([H])=C3C(C([H])=C([H])C(C([H])([H])[H])(C([H])([H])[H])O3)=C([H])C=2C(C([H])([H])[C@@]1([H])C1C([H])=C([H])C(=C([H])C=1[H])O[H])=O

Computed Properties

  • Exact Mass: 322.12100
  • Monoisotopic Mass: 322.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 518
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 55.8
  • XLogP3: 3.5

Experimental Properties

  • Color/Form: Powder
  • Density: 1.259±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 540.0±50.0 °C at 760 mmHg
  • Flash Point: 197.2±23.6 °C
  • Solubility: Insuluble (2.8E-3 g/L) (25 oC),
  • PSA: 55.76000
  • LogP: 4.28290
  • Vapor Pressure: 0.0±1.5 mmHg at 25°C

5-DEHYDROXYPARATOCARPIN K Security Information

5-DEHYDROXYPARATOCARPIN K Pricemore >>

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