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Pyrophosphoric acid, ethyl triisopropyl ester structure
Fine Chemical

Pyrophosphoric acid, ethyl triisopropyl ester

TL;DR: Pyrophosphoric acid, ethyl triisopropyl ester (CAS 63704-58-5) is a chemical compound with molecular formula C11H26O7P2 and molecular weight 332.1154 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

di(propan-2-yloxy)phosphoryl ethyl propan-2-yl phosphate

Also Known As: Ethyl triisopropyl pyrophosphate, ethyl triisopropyl diphosphate, Ethyl tripropan-2-yl diphosphate, Pyrophosphoric acid, ethyl triisopropyl ester, Ethyl tri(propan-2-yl) diphosphate

CAS Number
63704-58-5
Molecular Formula
C11H26O7P2
Molecular Weight
332.1154 g/mol
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Technical Specifications

Molecular FormulaC11H26O7P2
Molecular Weight332.1154 g/mol
XLogP1.7
Topological Polar Surface Area (TPSA)80.3 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors7
Rotatable Bonds10
Exact Mass332.1154 Da
Heavy Atoms20
Complexity354.0
SMILESCCOP(=O)(OC(C)C)OP(=O)(OC(C)C)OC(C)C
InChIKeyAIUIOLZIJLZPNQ-UHFFFAOYSA-N

Chemical Property Profile of Pyrophosphoric acid, ethyl triisopropyl ester

XLogP
1.7
TPSA (Topological Polar Surface Area)
80.3
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
Rotatable Bonds
10
Heavy Atoms
20
Complexity
354.0
Exact Mass
332.1154
Monoisotopic Mass
332.1154
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Pyrophosphoric acid, ethyl triisopropyl ester

The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrophosphoric acid, ethyl triisopropyl ester. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrophosphoric acid, ethyl triisopropyl ester. Following Lipinski's Rule of Five, Pyrophosphoric acid, ethyl triisopropyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Pyrophosphoric acid, ethyl triisopropyl ester?

The CAS number of Pyrophosphoric acid, ethyl triisopropyl ester is 63704-58-5.

What is the molecular formula of Pyrophosphoric acid, ethyl triisopropyl ester?

The molecular formula of Pyrophosphoric acid, ethyl triisopropyl ester is C11H26O7P2.

What is the molecular weight of Pyrophosphoric acid, ethyl triisopropyl ester?

The molecular weight of Pyrophosphoric acid, ethyl triisopropyl ester is 332.1154 g/mol.

Where can I buy Pyrophosphoric acid, ethyl triisopropyl ester?

You can request a quote for Pyrophosphoric acid, ethyl triisopropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Pyrophosphoric acid, ethyl triisopropyl ester?

Yes, CoreyChem provides custom synthesis services for Pyrophosphoric acid, ethyl triisopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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