3986-0004 Screening compound: [3,4,5-tris(acetyloxy)-6-(4-acetylphenoxy)oxan-2-yl]methyl acetate

3986-0004 Screening compound: [3,4,5-tris(acetyloxy)-6-(4-acetylphenoxy)oxan-2-yl]methyl acetate
3986-0004 Screening compound: [3,4,5-tris(acetyloxy)-6-(4-acetylphenoxy)oxan-2-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3986-0004
[3,4,5-tris(acetyloxy)-6-(4-acetylphenoxy)oxan-2-yl]methyl acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3986-0004

Molecular Formula

C22H26O11 (C22 H26 O11)

Compound Name

[3,4,5-tris(acetyloxy)-6-(4-acetylphenoxy)oxan-2-yl]methyl acetate

IUPAC name

[345-tris(acetyloxy)-6-(4-acetylphenoxy)oxan-2-yl]methyl acetate

SMILES

CC(c(cc1)ccc1OC(C(C1OC(C)=O)OC(C)=O)OC(COC(C)=O)C1OC(C)=O)=O

InChI

InChI=1S/C22H26O11/c1-11(23)16-6-8-17(9-7-16)32-22-21(31-15(5)27)20(30-14(4)26)19(29-13(3)25)18(33-22)10-28-12(2)24/h6-9,18-22H,10H2,1-5H3/t18?,19?,20?,21?,22-/m0/s1

InChI Key

DWFUJLNDNATWOD-BLJKDTPWSA-N

MDL Number (MFCD)

MFCD00477558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.44

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.402

Distribution Coefficient, logD

1.402

Water Solubility, LogSw

-1.68

Polar Surface Area

111.963

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 3986-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3986-0004?
Check Price and Availability of 3986-0004, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3986-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3986-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3986-0004
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3986-0004 available by request