Cas no 51419-48-8 ((Rac)-Hydnocarpin)

(Rac)-Hydnocarpin structure
(Rac)-Hydnocarpin structure
Product Name:(Rac)-Hydnocarpin
CAS No:51419-48-8
MF:C25H20O9
MW:464.420907974243
CID:369666
PubChem ID:5489114
Update Time:2025-04-19

(Rac)-Hydnocarpin Chemical and Physical Properties

Names and Identifiers

    • Hydnocarpin
    • 4H-1-Benzopyran-4-one,2-[(2R,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl]-5,7-dihydroxy-,rel-
    • 5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
    • 4H-1-Benzopyran-4-one,2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-5,7-dihydroxy-,trans
    • 5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
    • rel-2-[(2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl]-5,7-dihydroxy-4H-1-benzopyran-4-one
    • (Rac)-Hydnocarpin
    • HY-N7199
    • DTXSID50965736
    • 51419-48-8
    • CS-0105215
    • 4H-1-Benzopyran-4-one, 2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-5,7-dihydroxy-, trans-
    • AKOS040760773
    • FT-0776310
    • 5,7-Dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-1-benzopyran-4-one
    • MS-28549
    • G17671
    • DA-67096
    • Rac-Hydnocarpin
    • Inchi: 1S/C25H20O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)33-21-6-12(3-5-18(21)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)32-19/h2-10,23,25-29H,11H2,1H3
    • InChI Key: NMICSFNNFDNGEL-UHFFFAOYSA-N
    • SMILES: O1C2C=CC(C3=CC(C4C(=CC(=CC=4O3)O)O)=O)=CC=2OC(CO)C1C1C=CC(=C(C=1)OC)O

Computed Properties

  • Exact Mass: 464.11100
  • Monoisotopic Mass: 464.110732
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 4
  • Complexity: 772
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 464.4
  • Surface Charge: 0
  • Tautomer Count: 36
  • XLogP3: 3.3
  • Topological Polar Surface Area: 135

Experimental Properties

  • Color/Form: Solid
  • Density: 1.496±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 740.9°Cat760mmHg
  • Flash Point: 257.7°C
  • Refractive Index: 1.685
  • Solubility: Insuluble (3.6E-3 g/L) (25 oC),
  • PSA: 138.82000
  • LogP: 3.45880
  • Vapor Pressure: 0.0±2.6 mmHg at 25°C

(Rac)-Hydnocarpin Security Information

(Rac)-Hydnocarpin Pricemore >>

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(Rac)-Hydnocarpin Production Method

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