Pentaerythritol propoxylate (5/4 PO/OH)

Inquiry

Molecular Formula:

C22H48O12

Molecular Weight:

504.61

CAS Number:

9051-49-4

Catalog Number:

9051-49-4

Product Information

Molecular Formula:

C22H48O12

Molecular Weight:

504.61

Description

Pentaerythritol propoxylate may be used as a precipitant in reservoir solution for the crystallization of Phosphate Transporter(PiPT) and Aggregation Suppressing Protein A(AgsA). It may also acts as a reservoir solution for Phytosulfokine (PSK)- receptor PSKR- and somatic embryogenesis receptor-like kinases (SERKs) complex.

Synonyms

Pentaerythritol propoxylate (17/8 PO/OH)

IUPAC Name

3-[3-(3-hydroxypropoxy)-2,2-bis(3-hydroxypropoxymethyl)propoxy]propan-1-ol

Canonical SMILES

C(CO)COCC(COCCCO)(COCCCO)COCCCO

InChI

InChI=1S/C17H36O8/c18-5-1-9-22-13-17(14-23-10-2-6-19,15-24-11-3-7-20)16-25-12-4-8-21/h18-21H,1-16H2

InChI Key

AZEOMCMPNPXNDQ-UHFFFAOYSA-N

Boiling Point

>300 °C(lit.)

Flash Point

377.6 °F

Purity

95% (GC)

Density

1.05 g/mL at 25 °C (lit.)

Appearance

powder

Storage

2-8°C

Refractive Index

n20/D 1.464

Computed Properties

XLogP3

-1.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

368.24101810 g/mol

Monoisotopic Mass

368.24101810 g/mol

Topological Polar Surface Area

118Å²

Heavy Atom Count

Formal Charge

Complexity

212

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
US-2017340774-A1	Polethylene glycol hydrogel injection	2015-09-30
US-2004014933-A1	Thermally re-mendable cross-linked polymers	2002-07-12
US-6933361-B2	Thermally re-mendable cross-linked polymers	2002-07-12
EP-0991690-A1	Process for preparation of a dendritic polyol	1997-06-26
EP-0991690-B1	Process for preparation of a dendritic polyol	1997-06-26
US-6211329-B1	Process for preparation of a dendritic polyol	1997-06-26
WO-9900439-A1	Process for preparation of a dendritic polyol	1997-06-26

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Pentaerythritol propoxylate (5/4 PO/OH)

Product Information

Computed Properties

Patents

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