Cas no 642-83-1 (Aceglatone)

Aceglatone structure
Aceglatone structure
Product Name:Aceglatone
CAS No:642-83-1
MF:C10H10O8
MW:258.181603908539
CID:39385
PubChem ID:636372
Update Time:2025-04-18

Aceglatone Chemical and Physical Properties

Names and Identifiers

    • Aceglatone
    • 2,4,6-TRICHLORO-5-(METHYLTHIO)-PYRIMIDINE
    • 2,5-Di-O-acetyl-D-glucosaccharo-1,4-3,6-dilacton
    • 2-O,5-O-Diacetyl-D-glucaric acid 1,4:6,3-dilactone
    • Furo[3,2-b]furan,D-glucaric acid deriv.
    • Glucaric acid,1,4:6,3-dilactone,diacetate (7CI)
    • Glucaron
    • 347Q3OOJ13
    • Q4673057
    • Aceglatone [INN]
    • 2,5-Di-O-acetyl-D-glucaro-1,4:6,3-dilactone
    • CHEBI:31160
    • Aceglatone [INN:JAN]
    • ACEGLATONE [MART.]
    • Aceglatonum
    • ACEGLATONE [WHO-DD]
    • Aceglatonum [INN-Latin]
    • [(3R,3aS,6S,6aS)-6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl] acetate
    • CCRIS 2774
    • UNII-347Q3OOJ13
    • D-Glucaric acid 1,4:6,3-dilactone diacetate
    • NCGC00183831-01
    • D-Glucaric acid di-gamma-lactone diacetate
    • (3R,3aS,6S,6aS)-2,5-dioxohexahydrofuro[3,2-b]furan-3,6-diyl diacetate
    • Aceglatone (JAN/INN)
    • Aceglatona [INN-Spanish]
    • D01805
    • Glucaron (TN)
    • D-GLUCARIC ACID DI-.GAMMA.-LACTONE DIACETATE
    • [(3R,3aR,6S,6aR)-6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl] acetate
    • Aceglatona
    • Glucaric acid, 1,4:6,3-dilactone, diacetate, D-
    • Aceglaton
    • CHEMBL446209
    • ACEGLATONE [MI]
    • 2,5-Di-O-acetyl-D-glucosaccharo-1,4:6,3-dilactone
    • ACEGLATONE [JAN]
    • 2,5-di-O-acetyl glucaro-(1,4)-(6-3)-dilactone
    • AKOS040745460
    • 642-83-1
    • Inchi： 1S/C10H10O8/c1-3(11)15-7-5-6(18-9(7)13)8(10(14)17-5)16-4(2)12/h5-8H,1-2H3/t5-,6-,7-,8+/m0/s1
    • InChI Key： ZOZKYEHVNDEUCO-DKXJUACHSA-N
    • SMILES： O1C([C@@H]([C@@H]2[C@H]1[C@@H](C(=O)O2)OC(C)=O)OC(C)=O)=O

Computed Properties

  • Exact Mass: 258.03800
  • Monoisotopic Mass: 258.037567
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 388
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 105
  • XLogP3: -0.4

Experimental Properties

  • Color/Form: Solid powder
  • Density: 1.49
  • Melting Point: 185-186° (Hirasaka)
  • Boiling Point: 490°C at 760 mmHg
  • Flash Point: 224°C
  • Refractive Index: 1.511
  • PSA: 105.20000
  • LogP: -1.29940

Aceglatone Security Information

  • Signal Word：Warning
  • Storage Condition：Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).

Aceglatone Customs Data

  • HS CODE：2932999099
  • Customs Data：

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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