Cas no 4144-87-0 (Methyl 6-Chloro-6-deoxy-α-D-glucopyranoside)

Methyl 6-Chloro-6-deoxy-α-D-glucopyranoside is a chemically modified carbohydrate derivative in which the hydroxyl group at the C-6 position of α-D-glucopyranoside is replaced by a chlorine atom, with a methyl group at the anomeric center. This compound is valuable in synthetic organic chemistry and glycoscience due to its role as a protected intermediate in the synthesis of more complex glycosides and oligosaccharides. The chloro-deoxy modification enhances its reactivity in nucleophilic substitution reactions, making it useful for further functionalization. Its stable α-configuration ensures predictable stereochemical outcomes in glycosylation reactions, supporting controlled synthetic pathways in carbohydrate chemistry research.
Methyl 6-Chloro-6-deoxy-α-D-glucopyranoside structure
4144-87-0 structure
Product Name:Methyl 6-Chloro-6-deoxy-α-D-glucopyranoside
CAS No:4144-87-0
MF:C7H13ClO5
MW:212.628122091293
CID:334787
PubChem ID:11095937
Update Time:2025-06-09

Methyl 6-Chloro-6-deoxy-α-D-glucopyranoside Chemical and Physical Properties

Names and Identifiers

    • a-D-Glucopyranoside,methyl 6-chloro-6-deoxy-
    • METHYL 6-CHLORO-6-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
    • Methyl 6-Chloro-6-deoxy-α-D-glucopyranoside
    • a-D-Glucopyranoside,Methyl 6-chloro-6-deoxy
    • Methyl 6-chloro-6-deoxy-a-D-glucopyranoside
    • Methyl-6-chloro-6-deoxy-alpha-D-glucopyranoside
    • (2S,3S,4S,5R,6S)-2-(chloromethyl)-6-methoxyoxane-3,4,5-triol
    • alpha-D-Glucopyranoside, methyl 6-chloro-6-deoxy-
    • METHYL 6-CHLORO-6-DEOXY-.ALPHA.-D-GLUCOPYRANOSIDE
    • Z9FG2JCS7Z
    • SCHEMBL8083621
    • UNII-Z9FG2JCS7Z
    • .ALPHA.-D-GLUCOPYRANOSIDE, METHYL 6-CHLORO-6-DEOXY-
    • (2S,3S,4S,5R,6S)-2-(Chloromethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
    • (2S,3S,4S,5R,6S)-2-(Chloromethyl)-6-methoxy-tetrahydropyran-3,4,5-triol
    • METHYL 6-CHLORO-6-DEOXY-.ALPHA.-D-GLUCOPYRANOSIDE, (+)-
    • NSC-170171
    • Q27896671
    • starbld0001384
    • Methyl 6-chloro-6-deoxy-alpha-D-glucopyranoside, (+)-
    • 4144-87-0
    • Inchi: 1S/C7H13ClO5/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-7,9-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1
    • InChI Key: TZECRHYTLKLTSH-ZFYZTMLRSA-N
    • SMILES: ClC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](OC)O1)O)O)O

Computed Properties

  • Exact Mass: 212.04500
  • Monoisotopic Mass: 212.045
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 167
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 79.2A^2
  • XLogP3: -1.3

Experimental Properties

  • Density: 1.45g/cm3
  • Boiling Point: 370.4oC at 760 mmHg
  • Flash Point: 177.8oC
  • Refractive Index: 1.532
  • PSA: 79.15000
  • LogP: -1.32080

Methyl 6-Chloro-6-deoxy-α-D-glucopyranoside 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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