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[5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate structure
Fine Chemical

[5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate

TL;DR: [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate (CAS 1043892-54-1) is a chemical compound with molecular formula C40H41NO19 and molecular weight 839.2273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

[5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate

Also Known As: [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate|4-Nitrophenyl 3-O-(2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl)-2,4-di-O-benzoyl-b-D-mannopyranoside|EN04820

CAS Number
1043892-54-1
Molecular Formula
C40H41NO19
Molecular Weight
839.2273 g/mol
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Technical Specifications

Molecular FormulaC40H41NO19
Molecular Weight839.2273 g/mol
XLogP3.7
Topological Polar Surface Area (TPSA)261.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors19
Rotatable Bonds20
Exact Mass839.2273 Da
Heavy Atoms60
Complexity1500.0
SMILESCC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C3=CC=CC=C3)OC4=CC=C(C=C4)[N+](=O)[O-])CO)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C
InChIKeyOEJXXHZJFGMEDX-UHFFFAOYSA-N

Product Description

Applications: AC1NNLOJ is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1NNLOJ (CAS 1043892-54-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

AC1NNLOJ (CAS 1043892-54-1) is a fine chemical with the molecular formula C40H41NO19 and a molecular weight of 839.23 g/mol. It is also known as [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate and 4-Nitrophenyl 3-O-(2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl)-2,4-di-O-benzoyl-b-D-mannopyranoside.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate

XLogP
3.7
TPSA (Topological Polar Surface Area)
261.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
19
Rotatable Bonds
20
Heavy Atoms
60
Complexity
1500.0
Exact Mass
839.2273
Monoisotopic Mass
839.2273
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 [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate

The XLogP value of 3.7 indicates that [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 261.0 Ų indicates high polarity, suggesting [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate has 1 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate?

The CAS number of [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate is 1043892-54-1.

What is the molecular formula of [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate?

The molecular formula of [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate is C40H41NO19.

What is the molecular weight of [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate?

The molecular weight of [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate is 839.2273 g/mol.

What are the applications of [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate?

AC1NNLOJ is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1NNLOJ (CAS 1043892-54-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS...

Where can I buy [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate?

You can request a quote for [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate?

Yes, CoreyChem provides custom synthesis services for [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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