Gemmacolide D
TL;DR: Gemmacolide D (CAS 134915-01-8) is a chemical compound with molecular formula C28H35ClO13 and molecular weight 614.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4R,7R,8S,10Z,12S,13S,14R,15S,16R)-2,14,15-triacetyloxy-8-chloro-3,16-dihydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadec-10-ene-17,2'-oxirane]-12-yl] acetate
Also Known As: Gemmacolide D, (+)-Gemmacolide D, 2'-deoxy-2',2'-difluorocytidine 5-monophosphate
| Molecular Formula | C28H35ClO13 |
|---|---|
| Molecular Weight | 614.18 g/mol |
| LogP | 0.5052 |
| Topological Polar Surface Area | 184.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 614.17664 |
| Heavy Atoms | 42 |
| Complexity | 1226.0492 |
Chemical Identifiers
| CAS Number | 134915-01-8 |
|---|---|
| SMILES | C[C@H]1C(=O)O[C@@H]2[C@@]1([C@H]([C@@H]3[C@@]([C@H](/C=C\C(=C)[C@@H]2Cl)OC(=O)C)([C@H]([C@H]([C@H](C34CO4)O)OC(=O)C)OC(=O)C)C)OC(=O)C)O |
Product Overview
Gemmacolide D (CAS 134915-01-8), with molecular formula C28H35ClO13 and molecular weight 614.18 g/mol. IUPAC: [(1S,2S,3R,4R,7R,8S,10Z,12S,13S,14R,15S,16R)-2,14,15-triacetyloxy-8-chloro-3,16-dihydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadec-10-ene-17,2'-oxirane]-12-yl] acetate.
Chemical Property Profile of Gemmacolide D
Property Insights of Gemmacolide D
The XLogP value of 0.5052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gemmacolide D. The TPSA of 184.49 Ų indicates high polarity, suggesting Gemmacolide D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gemmacolide D has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gemmacolide D?
The CAS number of Gemmacolide D is 134915-01-8.
What is the molecular formula of Gemmacolide D?
The molecular formula of Gemmacolide D is C28H35ClO13.
What is the molecular weight of Gemmacolide D?
The molecular weight of Gemmacolide D is 614.18 g/mol.
Where can I buy Gemmacolide D?
You can request a quote for Gemmacolide D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gemmacolide D?
Yes, KEHONG BIO provides custom synthesis services for Gemmacolide D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.