TL;DR: N0001-003721 (CAS 1043415-48-0) is a chemical compound with molecular formula C31H35NO16 and molecular weight 677.19556 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3,4-dihydroxy-6-(4-nitrophenoxy)-5-(3,4,5-triacetyloxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl benzoate
Also Known As: N0001-003721, 4-Nitrophenyl 2-O-(2,3,4-tri-O-acetyl-b-L-fucopyranosyl)-6-O-benzoyl-a-D-galactopyranoside, [3,4-dihydroxy-6-(4-nitrophenoxy)-5-(3,4,5-triacetyloxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl benzoate
| Molecular Formula | C31H35NO16 |
| Molecular Weight | 677.19556 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 228.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 677.19556 Da |
| Heavy Atoms | 48 |
| Complexity | 1130.0 |
| SMILES | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)[N+](=O)[O-])COC(=O)C4=CC=CC=C4)O)O)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | XCTRVDVYYTYELV-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N0001-003721. The TPSA of 228.0 Ų indicates high polarity, suggesting N0001-003721 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N0001-003721 has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N0001-003721 is 1043415-48-0.
The molecular formula of N0001-003721 is C31H35NO16.
The molecular weight of N0001-003721 is 677.19556 g/mol.
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