disodium 4-chloro-3-[(1R,3S,5s,7s)-7-chloro-3'-methoxyspiro[adamantane-2,2'-[1,4]dioxetane]-3'-yl]phenyl phosphate

• ChemBase ID: 155078
• Molecular Formular: C18H19Cl2Na2O7P
• Molecular Mass: 495.198561
• Monoisotopic Mass: 494.0040835
• SMILES: COC1(C2([C@@H]3C[C@H]4C[C@H]2C[C@@](C4)(C3)Cl)OO1)c1cc(ccc1Cl)OP(=O)([O-])[O-].[Na+].[Na+]
• Canonical SMILES: COC1(OOC21[C@@H]1C[C@H]3C[C@H]2C[C@](C1)(C3)Cl)c1cc(ccc1Cl)OP(=O)([O-])[O-].[Na+].[Na+]
• InChI: InChI=1S/C18H21Cl2O7P.2Na/c1-24-18(14-6-13(2-3-15(14)19)25-28(21,22)23)17(26-27-18)11-4-10-5-12(17)9-16(20,7-10)8-11;;/h2-3,6,10-12H,4-5,7-9H2,1H3,(H2,21,22,23);;/q;2*+1/p-2/t10-,11-,12+,16-,17?,18?
• InChIKey: UKWLRLAKGMZXJC-VCCHNUGISA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 4-chloro-3-[(1R,3S,5s,7s)-7-chloro-3'-methoxyspiro[adamantane-2,2'-[1,4]dioxetane]-3'-yl]phenyl phosphate
• IUPAC Traditional name: disodium 4-chloro-3-[(1R,3S,5s,7s)-7-chloro-3'-methoxyspiro[adamantane-2,2'-[1,4]dioxetane]-3'-yl]phenyl phosphate
• Synonyms: Disodium 2-chloro-5-(4-methoxyspiro[1,2-dioxetane-3,2′-(5-chlorotricyclo[3.3.1.13.7]decan])-4-yl]-1-phenyl phosphate; CDP-Star® Chemiluminescent Substrate

Database IDs

• CAS Number: 160081-62-9
• MDL Number: MFCD02094611
• PubChem SID: 162249216
• PubChem CID: 71312074

CALCULATED PROPERTIES

• Acid pKa: 1.787154
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.7795622
• LogD (pH = 7.4): 1.04998
• Log P: 4.1604466
• Molar Refractivity: 98.1142 cm^3
• Polarizability: 40.20922 Å^3
• Polar Surface Area: 100.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: -
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.25 mM in H2O
• Usage: sufficient for 20 blots detection of alkaline phosphatase-labeled molecules (10 × 10 cm)
• Empirical Formula (Hill Notation): C18H19Cl2O7Na2P

DETAILS

Sigma Aldrich - C0712

Caution
Store at 2-8 °C protected from light.
Features and Benefits
CDP-Star® is supplied as a 0.25 mM ready-to-use aqueous solution for use in a variety of membrane-based applications. CDP-Star functions on both neutrally-charged and positively-charged nylon, giving the reagent added application versatility.
Legal Information
CDP-Star® is a trademark of Tropix, Inc. Bedford, MA, USA and covered under U.S. Patent 5,326,882.
CDP-Star is a registered trademark of Tropix, Inc.
Application
CDP-Star® is a sensitive, chemiluminescent substrate for alkaline phosphatase that allows for the rapid, reproducible detection of alkaline phosphatase-labeled molecules in Northern, Southern, and Western blotting applications. Detection of alkaline phosphatase-labeled molecules with CDP-Star is extremely sensitive as a result of low background luminescence coupled with high intensity and prolonged light output from the enzyme catalysis. Following exposure to alkaline phosphatase-labeled molecules, maximum light emission occurs at approximately 60 minutes and continues for up to 24 hours, allowing for multiple film exposures and/or the sensitive detection of targets present in small amounts. For convenience, CDP-Star is supplied as a 0.25 mM, ready-to-use aqueous solution (i.e. no dilution is necessary). CDP-Star functions on both neutral and positively-charged nylon, giving the reagent added application versatility.