0831-0935 Screening compound: [3,4,5-tris(acetyloxy)-6-[3-hydroxy-4-(2-phenylacetyl)phenoxy]oxan-2-yl]methyl acetate
Chemical Structure Depiction of ChemDiv screening compound 0831-0935
[3,4,5-tris(acetyloxy)-6-[3-hydroxy-4-(2-phenylacetyl)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
0831-0935
Molecular Formula
C28H30O12 (C28 H30 O12)
Compound Name
[3,4,5-tris(acetyloxy)-6-[3-hydroxy-4-(2-phenylacetyl)phenoxy]oxan-2-yl]methyl acetate
IUPAC name
[345-tris(acetyloxy)-6-[3-hydroxy-4-(2-phenylacetyl)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(Cc1ccccc1)=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
558.54
Hydrogen Bond Acceptors Count
17.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
14.00
Number of Nitrogen and Oxygen Atoms
12
Partition Coefficient, logP
3.095
Distribution Coefficient, logD
3.089
Water Solubility, LogSw
-3.25
Polar Surface Area
127.660
Acid Dissociation Constant (pKa)
9.28
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
5.00
Percent sp3 carbon bonding
39.30
References: we are preparing a list of scientific research reports with 0831-0935 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)