Esperamicin P
TL;DR: Esperamicin P (CAS 133978-90-2) is a chemical compound with molecular formula C59H80N4O22S5 and molecular weight 1356.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-6-[[9-hydroxy-2-[4-hydroxy-5-[(4-hydroxy-6-methyl-5-methylsulfanyloxan-2-yl)oxyamino]-3-[4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-12-(methoxycarbonylamino)-13-[2-(methyltetrasulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-4-yl] 4,5-dimethoxy-2-(2-methoxyprop-2-enoylamino)benzoate
Also Known As: Esperamicin P
| Molecular Formula | C59H80N4O22S5 |
|---|---|
| Molecular Weight | 1356.39 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 453.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 28 |
| Exact Mass | 1356.3867 |
| Heavy Atoms | 90 |
| Complexity | 2720.0 |
Chemical Identifiers
| CAS Number | 133978-90-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C#CC=CC#CC3(C(C(=O)C(=C2C3=CCSSSSC)NC(=O)OC)OC4CC(C(C(O4)C)O)OC(=O)C5=CC(=C(C=C5NC(=O)C(=C)OC)OC)OC)O)OC6CC(C(CO6)NC(C)C)OC)O)NOC7CC(C(C(O7)C)SC)O |
| InChIKey | DKKLHNXVRAMXCI-UHFFFAOYSA-N |
Product Overview
Esperamicin P (CAS 133978-90-2), with molecular formula C59H80N4O22S5 and molecular weight 1356.39 g/mol. IUPAC: [3-hydroxy-6-[[9-hydroxy-2-[4-hydroxy-5-[(4-hydroxy-6-methyl-5-methylsulfanyloxan-2-yl)oxyamino]-3-[4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-12-(methoxycarbonylamino)-13-[2-(methyltetrasulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-4-yl] 4,5-dimethoxy-2-(2-methoxyprop-2-enoylamino)benzoate.
Chemical Property Profile of Esperamicin P
Property Insights of Esperamicin P
The XLogP value of 3.6 indicates that Esperamicin P is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 453.0 Ų indicates high polarity, suggesting Esperamicin P may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Esperamicin P has 8 hydrogen bond donor(s) and 29 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Esperamicin P?
The CAS number of Esperamicin P is 133978-90-2.
What is the molecular formula of Esperamicin P?
The molecular formula of Esperamicin P is C59H80N4O22S5.
What is the molecular weight of Esperamicin P?
The molecular weight of Esperamicin P is 1356.39 g/mol.
Where can I buy Esperamicin P?
You can request a quote for Esperamicin P directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Esperamicin P?
Yes, KEHONG BIO provides custom synthesis services for Esperamicin P and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.