8013-6315 Screening compound: 1-(6'-hydroxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)ethane-1,2-diol

8013-6315 Screening compound: 1-(6'-hydroxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)ethane-1,2-diol
8013-6315 Screening compound: 1-(6'-hydroxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)ethane-1,2-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6315
1-(6'-hydroxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)ethane-1,2-diol

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

8013-6315

Molecular Formula

C12H20O6 (C12 H20 O6)

Compound Name

1-(6'-hydroxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)ethane-1,2-diol

IUPAC name

1-{6'-hydroxy-tetrahydrospiro[cyclohexane-12'-furo[23-d][13]dioxol]-5'-yl}ethane-12-diol

SMILES

OCC(C1OC2OC3(CCCCC3)OC2C1O)O

InChI

InChI=1S/C12H20O6/c13-6-7(14)9-8(15)10-11(16-9)18-12(17-10)4-2-1-3-5-12/h7-11,13-15H,1-6H2

InChI Key

KAUCUKASFLXURN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00517482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.256

Distribution Coefficient, logD

0.256

Water Solubility, LogSw

-0.62

Polar Surface Area

72.366

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

100.00

8013-6315 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-6315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6315?
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What is the minimum amount of 8013-6315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6315
  • 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 8013-6315 available by request