5,8-Dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-penten-1-yl]-1,4-naphthoquinone | CAS No. 517-89-5

5,8-Dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-penten-1-yl]-1,4-naphthoquinone

Basic Information

CAS Number

517-89-5

Molecular Formula

C16H16O5

Molecular Weight

288.3 g/mol

AD

Basic Physical Properties

Physical State

Purple powder

Melting Point

147-149°C

Boiling Point

567.4℃ at 760mmHg

Density

1.3730

Flash Point

311°C

Solubility

Practically insoluble in aqueous solutions

Refractive Index

1.642

Vapor Pressure

5.1X10-11 mm Hg at 25 °C (est)

CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C

InChI

InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1

InChIKey

NEZONWMXZKDMKF-SNVBAGLBSA-N

LogP

2.1204

Topological Polar Surface Area

94.83000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

501

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Storage Conditions

2-8℃

Synonyms & References

English

  • Shikonin S
  • AKOS015900416
  • HMS1792P11
  • Shikonin,(S)
  • 1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (R)-
  • (R)-Shikonin
  • HMS3403P11
  • CS-5906
  • HMS2089L09
  • shikonin
  • HSDB 8100
  • CCG-208272
  • DTXSID30199653
  • NCGC00163489-02
  • BRN 2058010
  • 1,4-naphthalenedione, 5,8-dihydroxy-2-((1r)-1-hydroxy-4-methyl-3-pentenyl)-
  • NCGC00163489-04
  • 3IK6592UBW
  • AC-26871
  • (R)-5,8-Dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)naphthalene-1,4-dione
  • MFCD00075680
  • (+)-Shikonin
  • C17412
  • SR-05000001466
  • BSPBio_001270
  • Q27155024
  • HY-N0822
  • C.I. 75535;Isoarnebin 4
  • CCRIS 6492
  • UNII-3IK6592UBW
  • 5,8-dihydroxy-2-((1R)-1-hydroxy-4-methyl-3-penten-1-yl)-1,4-naphthalenedione

MDL Number

MFCD00075680

Customs Code

2914690090

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