Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate
TL;DR: Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate (CAS 83354-86-3) is a chemical compound with molecular formula C19H19NO9 and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methanone
Also Known As: Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate, 4-(4-Nitrobenzoyl)phenyl beta-D-glucopyranoside, (4-(beta-D-Glucopyranosyloxy)phenyl)(4-nitrophenyl)methanone hydrate, (4-nitrophenyl)-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methanone, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(4-nitrobenzoyl)phenoxy]oxane-3,4,5-triol
| Molecular Formula | C19H19NO9 |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 0.0045 |
| Topological Polar Surface Area | 159.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.106 |
| Heavy Atoms | 29 |
| Complexity | 866.2535 |
Chemical Identifiers
| CAS Number | 83354-86-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[N+](=O)[O-] |
Product Overview
Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate (CAS 83354-86-3), with molecular formula C19H19NO9 and molecular weight 405.11 g/mol. IUPAC: (4-nitrophenyl)-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methanone.
Chemical Property Profile of Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate
Property Insights of Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate
The XLogP value of 0.0045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate. The TPSA of 159.59 Ų indicates high polarity, suggesting Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate?
The CAS number of Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate is 83354-86-3.
What is the molecular formula of Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate?
The molecular formula of Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate is C19H19NO9.
What is the molecular weight of Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate?
The molecular weight of Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate is 405.11 g/mol.
Where can I buy Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate?
You can request a quote for Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)(4-nitrophenyl)-, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.