Cas no 61490-68-4 (Benzoapyrenetetrol I 2)

Benzoapyrenetetrol I 2 structure
Benzoapyrenetetrol I 2 structure
Product Name:Benzoapyrenetetrol I 2
CAS No:61490-68-4
MF:C20H16O4
MW:320.338645935059
CID:503326
PubChem ID:24835369
Update Time:2025-04-19

Benzoapyrenetetrol I 2 Chemical and Physical Properties

Names and Identifiers

    • Benzo[a]pyrene-7,8,9,10-tetrol,7,8,9,10-tetrahydro-, (7R,8S,9R,10R)-rel-
    • Benzo[a]pyrenetetrol I 2
    • (7R,8S,9R,10R)-7,8,9,10-Tetrahydrobenzo[pqr]tetraphene-7,8,9,10-t etrol
    • 7,8,9,10-TETRAHYDROXY-7,8,9,10-TETRAHYDROBENZO(A)PYRENE
    • BRN 4330470
    • R-7,T-8,T-9,T-10-Tetrahydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • Benzo(a)pyrenetetrol I 2
    • 61490-68-4
    • Benzo(a)pyrene-7-beta,8-alpha,9-alpha,10-alpha-tetraol
    • Benzo(a)pyrene, 7-beta,8-alpha,9-alpha,10-alpha-tetrahydroxy-7,8,9,10-tetrahydro-
    • DTXSID70210457
    • 7-beta,8-alpha,9-beta,10-beta-Tetrahydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-beta,8-alpha,9-alpha,10-alpha-tetrahydroxy-
    • 7/8,9,10-Tetrahydroxytetrahydrobenzo(a)pyrene
    • (7S,8R,9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol
    • Benzoapyrenetetrol I 2
    • Inchi： 1S/C20H16O4/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)18(22)20(24)19(17)23/h1-8,17-24H/t17-,18-,19+,20-/m0/s1
    • InChI Key： KWFVZAJQUSRMCC-HAGHYFMRSA-N
    • SMILES： O[C@@H]1[C@@H]([C@@H]([C@H](C2C=C3C=CC4=CC=CC5C=CC(=C3C=54)C1=2)O)O)O

Computed Properties

  • Exact Mass: 320.10485899g/mol
  • Monoisotopic Mass: 320.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 0
  • Complexity: 496
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 80.9?2

Experimental Properties

  • Density: 1.1863 (rough estimate)
  • Boiling Point: 419.24°C (rough estimate)
  • Refractive Index: 1.5400 (estimate)

Benzoapyrenetetrol I 2 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B205845-0.5mg
Benzo[a]pyrenetetrol I 2
 61490-68-4
0.5mg
 $ 210.00 2022-06-07
TRC
B205845-5mg
Benzo[a]pyrenetetrol I 2
 61490-68-4
5mg
 $ 1975.00 2023-04-19
TRC
B205845-.5mg
Benzo[a]pyrenetetrol I 2
 61490-68-4
.5mg
 $ 259.00 2023-04-19

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