8006-6088 Screening compound: 1,3,3,5,7,7-hexanitro-1,5-diazocane

8006-6088 Screening compound: 1,3,3,5,7,7-hexanitro-1,5-diazocane
8006-6088 Screening compound: 1,3,3,5,7,7-hexanitro-1,5-diazocane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6088
1,3,3,5,7,7-hexanitro-1,5-diazocane

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

8006-6088

Molecular Formula

C6H8N8O12 (C6 H8 N8 O12)

Compound Name

1,3,3,5,7,7-hexanitro-1,5-diazocane

IUPAC name

133577-hexanitro-15-diazocane

SMILES

[O-][N+](C(CN(CC(C1)([N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)(CN1[N+]([O-])=O)[N+]([O-])=O)=O

InChI

InChI=1S/C6H8N8O12/c15-9(16)5(10(17)18)1-7(13(23)24)3-6(11(19)20,12(21)22)4-8(2-5)14(25)26/h1-4H2

InChI Key

BLZQCPAABODUPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.18

Hydrogen Bond Acceptors Count

24.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

20

Partition Coefficient, logP

-1.955

Distribution Coefficient, logD

-1.955

Water Solubility, LogSw

-0.28

Polar Surface Area

226.183

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

-9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

References: we are preparing a list of scientific research reports with 8006-6088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6088?
Check Price and Availability of 8006-6088, 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 8006-6088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6088
  • 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 8006-6088 available by request