Cas no 52934-83-5 (Nanaomycin A)

Nanaomycin A structure
Nanaomycin A structure
Product Name:Nanaomycin A
CAS No:52934-83-5
MF:C16H14O6
MW:302.278765201569
CID:368043
PubChem ID:442757
Update Time:2025-04-19

Nanaomycin A Chemical and Physical Properties

Names and Identifiers

    • 1H-Naphtho[2,3-c]pyran-3-aceticacid, 3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-, (1S,3R)-
    • 2-[(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
    • 4-deoxykalafunginic acid
    • CHEBI:48202
    • dihydrokalafungin
    • Nanafrocin
    • Nanafrocin [INN]
    • Nanafrocina [Spanish]
    • Nanafrocine
    • Nanafrocine [French]
    • Nanafrocinum
    • Nanafrocinum [Latin]
    • Nanaomycin A
    • Rosanomycin A
    • CHEMBL2106789
    • AKOS040742270
    • 8XBV72641V
    • NANAFROCIN [JAN]
    • 52934-83-5
    • (1S,3R)-Nanaomycin A
    • BDBM50075103
    • OS-3966-A
    • NSC 267461
    • HY-103397
    • 1H-Naphtho[2,3-c]pyran-3-acetic acid,3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-(1S,3R)-
    • Antibiotic OS 3966A
    • 2-((1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-benzo[g]isochromen-3-yl)acetic acid
    • UNII-8XBV72641V
    • NSC-267461
    • CCA93483
    • Nanafrocina
    • SCHEMBL2111571
    • [(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-3-yl]acetic acid
    • (1S,3R)-3,4,5,10-Tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-1H-naphtho-(2,3-c)pyran-3-acetic acid
    • 1H-Naphtho(2,3-c)pyran-3-acetic acid, 3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-, (1S-E)-
    • [(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-benzo[g]isochromen-3-yl]acetic acid
    • DTXSID401018642
    • NS00011756
    • Q27104606
    • Nanomycin A
    • CS-0027820
    • NCI60_002162
    • 2-(9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g][2]benzopyran-3-yl)acetic acid
    • SMR001565684
    • BRD-A86160188-001-01-8
    • 2-(9-Hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid
    • SMP2_000265
    • 2-[1-methyl-9-oxidanyl-5,10-bis(oxidanylidene)-3,4-dihydro-1H-benzo[g]isochromen-3-yl]ethanoic acid
    • CHEBI:193279
    • ZCJHPTKRISJQTN-UHFFFAOYSA-N
    • DTXSID70866291
    • NSC267461
    • (9-Hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-3-yl)acetic acid
    • BDBM80078
    • Neuro_000132
    • (9-Hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-benzo[g]isochromen-3-yl)acetic acid
    • cid_40586
    • MLS002702116
    • CHEMBL1212972
    • 2-(9-hydroxy-5,10-diketo-1-methyl-3,4-dihydro-1H-benz[g]isochromen-3-yl)acetic acid
    • SCHEMBL18567076
    • NANAOMYCIN
    • Nanafrocinum (Latin)
    • OS 3966-A
    • DA-75987
    • ((1S,3R)-9-Hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-naphtho(2,3-c)pyran-3-yl)acetic acid
    • 2-((1R,3S)-9-Hydroxy-1-methyl-5,10-dioxo-1H,3H,4H,5H,10H-naphtho(2,3-c)pyran-3-yl)acetate
    • (1S,3R)-3,4,5,10-Tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-1H-naphtho[2,3-c]pyran-3-acetic Acid
    • DTXCID301476714
    • ((1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-benzo(g)isochromen-3-yl)acetic acid
    • (1S,3R)-3,4,5,10-Tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-1H-naphtho(2,3-c)pyran-3-acetic Acid
    • 2-[(1R,3S)-9-Hydroxy-1-methyl-5,10-dioxo-1H,3H,4H,5H,10H-naphtho[2,3-c]pyran-3-yl]acetate
    • Inchi: 1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1
    • InChI Key: ZCJHPTKRISJQTN-JGVFFNPUSA-N
    • SMILES: O1[C@@H](C)C2C(C3C(=CC=CC=3C(C=2C[C@@H]1CC(=O)O)=O)O)=O

Computed Properties

  • Exact Mass: 302.07902
  • Monoisotopic Mass: 302.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 2
  • Complexity: 563
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 101A^2
  • XLogP3: 1.3

Experimental Properties

  • Density: 1.2514 (rough estimate)
  • Melting Point: 179°C
  • Boiling Point: 363.32°C (rough estimate)
  • Flash Point: 229°C
  • Refractive Index: 1.4600 (estimate)
  • PSA: 100.9
  • LogP: 1.71990

Nanaomycin A Security Information

  • Hazardous Material transportation number:UN 2811 6.1/PG 3
  • WGK Germany:3
  • Hazard Category Code: 22-24
  • Safety Instruction: 36/37-45
  • RTECS:QL6127000
  • Hazardous Material Identification: T
  • Risk Phrases:22-24
  • Storage Condition:?20°C

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