Cas no 7586-49-4 ((+-)-Inosit-methylether)

(+-)-Inosit-methylether structure
(+-)-Inosit-methylether structure
Product Name:(+-)-Inosit-methylether
CAS No:7586-49-4
MF:C7H14O6
MW:194.182463169098
CID:2080928
PubChem ID:230881
Update Time:2025-04-21

(+-)-Inosit-methylether Chemical and Physical Properties

Names and Identifiers

    • (+-)-Inosit-methylether
    • 1-methyl-inositol
    • 1-O-methyl-cis-inositol
    • 1-O-Methyl-myo-inosit (DL-Bornesit)
    • 3-Me-D-chiro-Inositol
    • 3-Me-L-chiro-Inoditol
    • 3-O-Methyl-epi-inositol
    • Caesalpinitol
    • L-Quebrachitol
    • pinitol
    • Quebrachitol
    • Sequoyit
    • Sequoyitol
    • sparsifol
    • 6-methoxycyclohexane-1,2,3,4,5-pentaol
    • NSC-131046
    • AS-15082
    • NSC128700
    • NSC231332
    • Sennit
    • 6-methoxycyclohexane-1,2,3,4,5-pentol
    • LS-13354
    • NSC43336
    • (1r,2s,3s,4s,5s,6r)-6-methoxycyclohexane-1,2,3,4,5-pentaol
    • AKOS024283476
    • DB-229568
    • MLS002639102
    • NSC-231332
    • 3-O-Methyl-D-chiro-inositol pound>>Pinitol pound>>D-(+)-Pinitol
    • AKOS037643351
    • SY069793
    • SMR001548553
    • Pinite (inositol derivative)
    • 3-O-METHYL-D-CHIRO-INOSITOL;(1R,2S,3R,4S,5S,6S)-6-methoxycyclohexane-1,2,3,4,5-pentaol
    • NCGC00095666-01
    • SCHEMBL23720629
    • P2219
    • Sennitol
    • BCP18100
    • Q3915149
    • Oprea1_249757
    • BCP22844
    • A800629
    • CHEMBL171890
    • DB-052118
    • 5-O-Methyl-myo-inositol; 1D-5-O-Methyl-myo-inositol
    • 1-O-Methylinositol
    • SCHEMBL24537
    • NSC131046
    • 7586-49-4
    • 60537-25-9
    • NSC26254
    • MDL: MFCD03225507
    • Inchi: 1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3
    • InChI Key: DSCFFEYYQKSRSV-UHFFFAOYSA-N
    • SMILES: O(C)C1C(C(C(C(C1O)O)O)O)O

Computed Properties

  • Exact Mass: 194.07903816Da
  • Monoisotopic Mass: 194.07903816Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 158
  • 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
  • XLogP3: -3.2
  • Topological Polar Surface Area: 110?2
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