Cas no 112516-05-9 (Tubuloside A)

Tubuloside A structure
Tubuloside A structure
Product Name:Tubuloside A
CAS No:112516-05-9
MF:C37H48O21
MW:828.764433860779
CID:156570
PubChem ID:21637830
Update Time:2025-04-19

Tubuloside A Chemical and Physical Properties

Names and Identifiers

    • Tubuloside A
    • b-D-Glucopyranoside,2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • 6)]-, 2-acetate 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
    • TUBULOSIDE A (REFERENCE GRADE)
    • Tubuloside-A
    • BCP10885
    • [5-Acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyme
    • CID 127258928
    • Tubuloside A，HPLC≥98%
    • b-D-Glucopyranoside,2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-a-L-mannopyranosyl-(13)-O-[b-D-glucopyranosyl-(16)]-, 2-acetate 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
    • β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→6)]-, 2-acetate 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
    • MFCD28251989
    • AKOS037514890
    • SCHEMBL4044477
    • (2R,3R,4S,5R,6R)-5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
    • [(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
    • 112516-05-9
    • DTXSID501317887
    • FT-0775331
    • CHEBI:228915
    • 1ST182041
    • MDL： MFCD28251989
    • Inchi： 1S/C37H48O21/c1-15-26(45)28(47)31(50)36(53-15)58-33-32(57-25(44)8-5-17-3-6-19(40)21(42)11-17)24(14-52-35-30(49)29(48)27(46)23(13-38)55-35)56-37(34(33)54-16(2)39)51-10-9-18-4-7-20(41)22(43)12-18/h3-8,11-12,15,23-24,26-38,40-43,45-50H,9-10,13-14H2,1-2H3/b8-5+/t15-,23+,24+,26-,27+,28+,29-,30+,31+,32+,33-,34+,35+,36-,37+/m0/s1
    • InChI Key： KZLDMAIXPXOZCX-BBQAUMBQSA-N
    • SMILES： O([C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)[C@@H]1[C@H]([C@H](OCCC2C=CC(=C(C=2)O)O)O[C@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)[C@H]1OC(/C=C/C1C=CC(=C(C=1)O)O)=O)OC(C)=O

Computed Properties

  • Exact Mass: 828.26900
  • Monoisotopic Mass: 828.26880854 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 21
  • Heavy Atom Count: 58
  • Rotatable Bond Count: 16
  • Complexity: 1340
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 15
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.5
  • Topological Polar Surface Area: 331
  • Molecular Weight: 828.8

Experimental Properties

  • Color/Form: Powder
  • Density: 1.62±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 1045.5±65.0 °C at 760 mmHg
  • Flash Point: 317.7±27.8 °C
  • Solubility: Slightly soluble (1.8 g/l) (25 o C),
  • PSA: 330.51000
  • LogP: -2.62090
  • pka: 8.43±0.20(Predicted)

Tubuloside A Security Information

Tubuloside A Pricemore >>

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S e l l e c k ZHONG GUO
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