2,3,4-Tri-O-benzyl-D-glucopyranuronic acid benzyl ester - CAS 4539-78-0
Catalog: |
BB073408 |
Product Name: |
2,3,4-Tri-O-benzyl-D-glucopyranuronic acid benzyl ester |
CAS: |
4539-78-0 |
Synonyms: |
Benzyl 2,3,4-tri-o-benzyl-d-glucopyranosyluronate |
IUPAC Name: | benzyl (2S,3R,4S,5R)-2-hydroxy-6-oxo-3,4,5-tris(phenylmethoxy)hexanoate |
Description: | Benzyl 2,3,4-Tri-O-benzyl-D-glucuronate (cas# 53684-90-5) is a compound useful in organic synthesis. |
Molecular Weight: | 554.63 |
Molecular Formula: | C34H34O7 |
Canonical SMILES: | C(C1=CC=CC=C1)O[C@@H]1[C@H](OC([C@@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)O)C(=O)OCC1=CC=CC=C1 |
InChI: | InChI=1S/C34H34O7/c35-33(40-24-28-19-11-4-12-20-28)32-30(38-22-26-15-7-2-8-16-26)29(37-21-25-13-5-1-6-14-25)31(34(36)41-32)39-23-27-17-9-3-10-18-27/h1-20,29-32,34,36H,21-24H2/t29-,30-,31+,32-,34?/m0/s1 |
InChI Key: | JGZVCCVFRMQHQJ-NVUQYOTJSA-N |
Melting Point: | 126-130 °C |
Solubility: | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly, Sonicated) |
Appearance: | White Crystalline Solid |
Storage: | 4°C, Inert atmosphere |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 721 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 554.23045342 |
Formal Charge: | 0 |
Heavy Atom Count: | 41 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 554.23045342 |
Rotatable Bond Count: | 17 |
Topological Polar Surface Area: | 91.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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