C35H27NO9S
TL;DR: C35H27NO9S (CAS 132413-50-4) is a chemical compound with molecular formula C35H27NO9S and molecular weight 637.1406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,4,5-tribenzoyloxy-6-isothiocyanatooxan-2-yl)methyl benzoate
Also Known As: 2,3,4,6-Tetra-O-benzoyl-b-D-glucopyranosyl isothiocyanate, (3,4,5-tribenzoyloxy-6-isothiocyanatooxan-2-yl)methyl benzoate, 2,3,4,6-Tetra-O-benzoyl-beta-D-glucopyranosyl isothiocyanate, (3,4,5-tribenzoyloxy-6-isothiocyanato-tetrahydropyran-2-yl)methyl benzoate, [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-isothiocyanatooxan-2-yl]methyl benzoate
Technical Specifications
| Molecular Formula | C35H27NO9S |
| Molecular Weight | 637.1406 g/mol |
| XLogP | 7.8 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 637.1406 Da |
| Heavy Atoms | 46 |
| Complexity | 1090.0 |
| SMILES | C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)N=C=S)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | RITGYQZMPNVVEG-UHFFFAOYSA-N |
Chemical Property Profile of C35H27NO9S
Property Insights of C35H27NO9S
The XLogP value of 7.8 indicates that C35H27NO9S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting C35H27NO9S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C35H27NO9S has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C35H27NO9S?
The CAS number of C35H27NO9S is 132413-50-4.
What is the molecular formula of C35H27NO9S?
The molecular formula of C35H27NO9S is C35H27NO9S.
What is the molecular weight of C35H27NO9S?
The molecular weight of C35H27NO9S is 637.1406 g/mol.
Where can I buy C35H27NO9S?
You can request a quote for C35H27NO9S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C35H27NO9S?
Yes, CoreyChem provides custom synthesis services for C35H27NO9S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.