Cas no 78392-84-4 (b-D-Glucopyranoside,(1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl6-O-b-D-glucopyranosyl- (9CI))

b-D-Glucopyranoside,(1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl6-O-b-D-glucopyranosyl- (9CI) structure
78392-84-4 structure
Product Name:b-D-Glucopyranoside,(1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl6-O-b-D-glucopyranosyl- (9CI)
CAS No:78392-84-4
MF:C21H32O14
MW:508.470388412476
CID:580105
PubChem ID:101085816
Update Time:2024-03-01

b-D-Glucopyranoside,(1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl6-O-b-D-glucopyranosyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside,(1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl6-O-b-D-glucopyranosyl- (9CI)
    • (2S,3S,4R,5R,6S)-6-[[(4aS,7aR)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
    • (1S,4aR,5S,7aS)-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
    • 6'-O-beta-Glucosylaucubin
    • Aucubigenin 1-O-beta-gentiobioside
    • Ulmosid
    • DTXSID101102674
    • Inchi： 1S/C21H32O14/c22-5-9-2-1-8-3-4-31-18(11(8)9)34-20-16(28)14(26)17(29)21(30,35-20)7-32-19-15(27)13(25)12(24)10(6-23)33-19/h2-4,8,10-20,22-30H,1,5-7H2/t8-,10+,11+,12+,13-,14+,15+,16+,17-,18?,19+,20-,21-/m0/s1
    • InChI Key： KKQJWITWXVRRGR-QHRWLNFYSA-N
    • SMILES： O1[C@H](OC2OC=C[C@]3([H])CC=C(CO)[C@]23[H])[C@H](O)[C@@H](O)[C@H](O)[C@@]1(CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)O

Computed Properties

  • Exact Mass: 508.179206
  • Monoisotopic Mass: 508.179206
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 7
  • Complexity: 792
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 12
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 228
  • XLogP3: -5.2

Experimental Properties

  • Density: 1.69±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 824.4°C at 760 mmHg
  • Flash Point: 452.4°C
  • Refractive Index: 1.68
  • Solubility: Soluble (330 g/l) (25 o C),

b-D-Glucopyranoside,(1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl6-O-b-D-glucopyranosyl- (9CI) Related Literature

78392-84-4 (b-D-Glucopyranoside,(1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl6-O-b-D-glucopyranosyl- (9CI)) Related Products

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