Carpinusin
TL;DR: Carpinusin (CAS 161159-55-3) is a chemical compound with molecular formula C41H30O27 and molecular weight 954.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,19S,20S,39R)-8,9,9,13,14,25,26,27,30,31,32,35-dodecahydroxy-4,7,17,22-tetraoxo-3,18,21,36,38,40-hexaoxaoctacyclo[18.17.1.12,19.18,12.05,10.011,16.023,28.029,34]tetraconta-5,11,13,15,23,25,27,29,31,33-decaen-39-yl] 3,4,5-trihydroxybenzoate
Also Known As: Carpinusin, [dodecahydroxy(tetraoxo)[?]yl] 3,4,5-trihydroxybenzoate, .beta.-D-Glucopyranose, cyclic 2.fwdarw.7:4.fwdarw.5-[(2R,6R)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate] cyclic 1,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 3-(3,4,5-trihydroxybenzoate)
| Molecular Formula | C41H30O27 |
|---|---|
| Molecular Weight | 954.10 g/mol |
| LogP | -1.2508 |
| Topological Polar Surface Area | 453.41 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 2 |
| Exact Mass | 954.0975 |
| Heavy Atoms | 68 |
| Complexity | 2968.249 |
Chemical Identifiers
| CAS Number | 161159-55-3 |
|---|---|
| SMILES | C1[C@@H]2[C@@H]3[C@H]([C@@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(O1)O)O)O)O)O)O)O)OC(=O)C6=CC(=C(C7=C6C8C(=CC(=O)C(C8(O)O)(O7)O)C(=O)O3)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O |
Product Overview
Carpinusin (CAS 161159-55-3), with molecular formula C41H30O27 and molecular weight 954.10 g/mol. IUPAC: [(1R,2R,19S,20S,39R)-8,9,9,13,14,25,26,27,30,31,32,35-dodecahydroxy-4,7,17,22-tetraoxo-3,18,21,36,38,40-hexaoxaoctacyclo[18.17.1.12,19.18,12.05,10.011,16.023,28.029,34]tetraconta-5,11,13,15,23,25,27,29,31,33-decaen-39-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Carpinusin
Property Insights of Carpinusin
The XLogP value of -1.2508 indicates that Carpinusin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 453.41 Ų indicates high polarity, suggesting Carpinusin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carpinusin has 15 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carpinusin?
The CAS number of Carpinusin is 161159-55-3.
What is the molecular formula of Carpinusin?
The molecular formula of Carpinusin is C41H30O27.
What is the molecular weight of Carpinusin?
The molecular weight of Carpinusin is 954.10 g/mol.
Where can I buy Carpinusin?
You can request a quote for Carpinusin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carpinusin?
Yes, KEHONG BIO provides custom synthesis services for Carpinusin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.