Papulacandin D
TL;DR: Papulacandin D (CAS 61036-49-5) is a chemical compound with molecular formula C31H42O10 and molecular weight 574.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3'R,4'S,5'R,6'R)-3',4,5',6-tetrahydroxy-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
Also Known As: Papulacandin D, Papulacandins, [(3'R,4'S,5'R,6'R)-3',4,5',6-tetrahydroxy-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate, alpha-D-Glucopyranose, 1,16-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-, 3-(7-hydroxy-8,14-dimethyl-2,4,8,10- hexadecatetraenoate), (S-(R*,R*-(all-E)))-
| Molecular Formula | C31H42O10 |
|---|---|
| Molecular Weight | 574.28 g/mol |
| LogP | 2.9977 |
| Topological Polar Surface Area | 166.14 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 574.2778 |
| Heavy Atoms | 41 |
| Complexity | 1155.7979 |
Chemical Identifiers
| CAS Number | 61036-49-5 |
|---|---|
| SMILES | CC[C@H](C)CC/C=C/C=C(\C)/[C@H](C/C=C/C=C/C(=O)O[C@H]1[C@@H]([C@H](OC2([C@@H]1O)C3=C(CO2)C=C(C=C3O)O)CO)O)O |
Product Overview
Papulacandin D (CAS 61036-49-5), with molecular formula C31H42O10 and molecular weight 574.28 g/mol. IUPAC: [(3'R,4'S,5'R,6'R)-3',4,5',6-tetrahydroxy-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate.
Chemical Property Profile of Papulacandin D
Property Insights of Papulacandin D
The XLogP value of 2.9977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Papulacandin D. The TPSA of 166.14 Ų indicates high polarity, suggesting Papulacandin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Papulacandin D has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Papulacandin D?
The CAS number of Papulacandin D is 61036-49-5.
What is the molecular formula of Papulacandin D?
The molecular formula of Papulacandin D is C31H42O10.
What is the molecular weight of Papulacandin D?
The molecular weight of Papulacandin D is 574.28 g/mol.
Where can I buy Papulacandin D?
You can request a quote for Papulacandin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Papulacandin D?
Yes, KEHONG BIO provides custom synthesis services for Papulacandin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.