Cas no 64121-98-8 (Di-O-Methylcrenatin)

Di-O-Methylcrenatin structure
Di-O-Methylcrenatin structure
Product Name:Di-O-Methylcrenatin
CAS No:64121-98-8
MF:C15H22O9
MW:346.33000
CID:837568
PubChem ID:13965334
Update Time:2024-12-09

Di-O-Methylcrenatin Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside, 4-(hydroxymethyl)-2,6-dimethoxyphenyl
    • Di-O-methylcrenatin
    • 2,2'-Disulfanediylbis(5-chlorobenzoyl chloride)
    • 2,6-di-O-methylcrenatin
    • 4-hydroxymethyl-2,6,7-trioxabicyclooctane
    • beta-D-Glucopyranoside 4-(hydroxymethyl)-2,6-dimethoxyphenyl
    • HY-N3763
    • AKOS040761617
    • 4-(hydroxymethyl)-2,6-dimethoxyphenyl beta-D-glucopyranoside
    • Q27136835
    • CHEMBL1923074
    • 3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside
    • CHEBI:68338
    • NCGC00385556-01
    • DTXSID101315734
    • CS-0024177
    • FS-9281
    • 64121-98-8
    • 2-(HYDROXYMETHYL)-6-[4-(HYDROXYMETHYL)-2,6-DIMETHOXYPHENOXY]OXANE-3,4,5-TRIOL
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
    • [ "" ]
    • DA-72793
    • Di-O-Methylcrenatin
    • Inchi: InChI=1S/C15H22O9/c1-21-8-3-7(5-16)4-9(22-2)14(8)24-15-13(20)12(19)11(18)10(6-17)23-15/h3-4,10-13,15-20H,5-6H2,1-2H3/t10-,11-,12+,13-,15+/m1/s1
    • InChI Key: RWIINOLFQCPJMH-VVSAWPALSA-N
    • SMILES: COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)CO

Computed Properties

  • Exact Mass: 346.12600
  • Monoisotopic Mass: 346.12638228g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 6
  • Complexity: 368
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2
  • Topological Polar Surface Area: 138?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 591.2±50.0 °C at 760 mmHg
  • Flash Point: 311.3±30.1 °C
  • PSA: 138.07000
  • LogP: -1.62520
  • Vapor Pressure: 0.0±1.7 mmHg at 25°C

Di-O-Methylcrenatin Security Information

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Di-O-Methylcrenatin Production Method

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(CAS:64121-98-8)Di-O-Methylcrenatin
Order Number:CRN0933
Stock Status:in stock
Quantity:5mg/20mg/50mg
Purity:≥98%
Pricing Information Last Updated:Friday, 14 March 2025 14:53
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(CAS:64121-98-8)Di-O-Methylcrenatin
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