0831-0949 Screening compound: [3,4,5-tris(acetyloxy)-6-{3-hydroxy-4-[2-(4-methoxyphenoxy)acetyl]phenoxy}oxan-2-yl]methyl acetate

0831-0949 Screening compound: [3,4,5-tris(acetyloxy)-6-{3-hydroxy-4-[2-(4-methoxyphenoxy)acetyl]phenoxy}oxan-2-yl]methyl acetate
0831-0949 Screening compound: [3,4,5-tris(acetyloxy)-6-{3-hydroxy-4-[2-(4-methoxyphenoxy)acetyl]phenoxy}oxan-2-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0949
[3,4,5-tris(acetyloxy)-6-{3-hydroxy-4-[2-(4-methoxyphenoxy)acetyl]phenoxy}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

0831-0949

Molecular Formula

C29H32O14 (C29 H32 O14)

Compound Name

[3,4,5-tris(acetyloxy)-6-{3-hydroxy-4-[2-(4-methoxyphenoxy)acetyl]phenoxy}oxan-2-yl]methyl acetate

IUPAC name

[345-tris(acetyloxy)-6-{3-hydroxy-4-[2-(4-methoxyphenoxy)acetyl]phenoxy}oxan-2-yl]methyl acetate

SMILES

CC(OCC(C(C(C1OC(C)=O)OC(C)=O)OC(C)=O)OC1Oc(cc1)cc(O)c1C(COc(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C29H32O14/c1-15(30)37-14-25-26(39-16(2)31)27(40-17(3)32)28(41-18(4)33)29(43-25)42-21-10-11-22(23(34)12-21)24(35)13-38-20-8-6-19(36-5)7-9-20/h6-12,25-29,34H,13-14H2,1-5H3

InChI Key

OSPUWYWJNWIARF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00525541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

604.56

Hydrogen Bond Acceptors Count

19.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

3.039

Distribution Coefficient, logD

3.021

Water Solubility, LogSw

-2.94

Polar Surface Area

142.703

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with 0831-0949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0949?
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What is the minimum amount of 0831-0949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0949
  • 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 0831-0949 available by request