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1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate structure
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1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate

TL;DR: 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate (CAS 17966-25-5) is a chemical compound with molecular formula C39H77O8P and molecular weight 704.5356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(2-octadecanoyloxy-3-phosphonooxypropyl) octadecanoate

Also Known As: Titan yellow, Distearoylphosphatidic acid, distearoylphoshadidylglycerol, 1-[(PHOSPHONOOXY)METHYL]ETHANE-1,2-DIYL DISTEARATE, (2-octadecanoyloxy-3-phosphonooxypropyl) octadecanoate

CAS Number
17966-25-5
Molecular Formula
C39H77O8P
Molecular Weight
704.5356 g/mol
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Application Areas

Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.

Pharmaceutical Intermediates (14 patents)

Technical Specifications

Molecular FormulaC39H77O8P
Molecular Weight704.5356 g/mol
XLogP15.1
Topological Polar Surface Area (TPSA)119.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors8
Rotatable Bonds40
Exact Mass704.5356 Da
Heavy Atoms48
Complexity756.0
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
InChIKeyYFWHNAWEOZTIPI-UHFFFAOYSA-N

Chemical Property Profile of 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate

XLogP
15.1
TPSA (Topological Polar Surface Area)
119.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
8
Rotatable Bonds
40
Heavy Atoms
48
Complexity
756.0
Exact Mass
704.5356
Monoisotopic Mass
704.5356
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 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate

The XLogP value of 15.1 indicates that 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate. Following Lipinski's Rule of Five, 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate?

The CAS number of 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate is 17966-25-5.

What is the molecular formula of 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate?

The molecular formula of 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate is C39H77O8P.

What is the molecular weight of 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate?

The molecular weight of 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate is 704.5356 g/mol.

Where can I buy 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate?

You can request a quote for 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate?

Yes, CoreyChem provides custom synthesis services for 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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