4911-0073 Screening compound: [3,4,5-tris(acetyloxy)-6-(4-nitrophenoxy)oxan-2-yl]methyl acetate

4911-0073 Screening compound: [3,4,5-tris(acetyloxy)-6-(4-nitrophenoxy)oxan-2-yl]methyl acetate
4911-0073 Screening compound: [3,4,5-tris(acetyloxy)-6-(4-nitrophenoxy)oxan-2-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4911-0073
[3,4,5-tris(acetyloxy)-6-(4-nitrophenoxy)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

4911-0073

Molecular Formula

C20H23NO12 (C20 H23 NO12)

Compound Name

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

IUPAC name

[(2R3S4S5R6S)-345-tris(acetyloxy)-6-(4-nitrophenoxy)oxan-2-yl]methyl acetate

SMILES

CC(OC[C@@H]([C@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)OC(C)=O)O[C@@H]1Oc(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C20H23NO12/c1-10(22)28-9-16-17(29-11(2)23)18(30-12(3)24)19(31-13(4)25)20(33-16)32-15-7-5-14(6-8-15)21(26)27/h5-8,16-20H,9H2,1-4H3/t16-,17-,18-,19-,20-/m0/s1

InChI Key

BEUISCKWILNFIL-HVTWWXFQSA-N

MDL Number (MFCD)

MFCD02128622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.4

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.785

Distribution Coefficient, logD

1.785

Water Solubility, LogSw

-2.10

Polar Surface Area

131.518

Acid Dissociation Constant (pKa)

24.24

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 4911-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4911-0073?
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What is the minimum amount of 4911-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4911-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4911-0073
  • 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 4911-0073 available by request