8019-5019 Screening compound: tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexan]-5'-ylmethyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxyhexopyranoside

8019-5019 Screening compound: tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexan]-5'-ylmethyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxyhexopyranoside
8019-5019 Screening compound: tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexan]-5'-ylmethyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxyhexopyranoside alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5019
tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexan]-5'-ylmethyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxyhexopyranoside

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

8019-5019

Molecular Formula

C32H47NO14 (C32 H47 NO14)

Compound Name

tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexan]-5'-ylmethyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxyhexopyranoside

IUPAC name

[34-bis(acetyloxy)-6-({dispiro[cyclohexane-14'-[3571012]pentaoxatricyclo[7.3.0.0^{26}]dodecane-11'1''-cyclohexan]-8'-yl}methoxy)-5-acetamidooxan-2-yl]methyl acetate

SMILES

CC(NC(C1OC(C)=O)C(OCC2OC3OC4(CCCCC4)OC3C3OC4(CCCCC4)OC23)OC(COC(C)=O)C1OC(C)=O)=O

InChI

InChI=1S/C32H47NO14/c1-17(34)33-23-26(41-20(4)37)24(40-19(3)36)21(15-38-18(2)35)42-29(23)39-16-22-25-27(45-31(44-25)11-7-5-8-12-31)28-30(43-22)47-32(46-28)13-9-6-10-14-32/h21-30H,5-16H2,1-4H3,(H,33,34)

InChI Key

KQPACFUEGAAHNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07802830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

669.72

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

2.222

Distribution Coefficient, logD

2.222

Water Solubility, LogSw

-2.29

Polar Surface Area

141.221

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

10.00

Percent sp3 carbon bonding

87.50

References: we are preparing a list of scientific research reports with 8019-5019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5019?
Check Price and Availability of 8019-5019, 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 8019-5019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5019
  • 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 8019-5019 available by request