Vancomycin CDP-1
TL;DR: Vancomycin CDP-1 (CAS 555598-85-1) is a chemical compound with molecular formula C66H74Cl2N8O25 and molecular weight 1448.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
49-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,15-dichloro-2,18,33,36,38-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,24,27,43,45-pentaoxo-7,13-dioxa-21,25,28,42,44-pentazaoctacyclo[27.14.2.23,6.214,17.18,12.130,34.010,26.035,40]henpentaconta-3,5,8(49),9,11,14,16,30(46),31,33,35(40),36,38,47,50-pentadecaene-22,41-dicarboxylic acid
Also Known As: Vancomycin CDP-1, CDP-I, Candicidin, ethyl ester, CDP 1, Vancomycin EP Impurity B
| Molecular Formula | C66H74Cl2N8O25 |
|---|---|
| Molecular Weight | 1448.41 g/mol |
| LogP | -4.2 |
| Topological Polar Surface Area | 525.0 Ų |
| Hydrogen Bond Donors | 19 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 12 |
| Exact Mass | 1448.4142 |
| Heavy Atoms | 101 |
| Complexity | 2960.0 |
Chemical Identifiers
| CAS Number | 555598-85-1 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(CC(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)C(=O)O)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O |
| InChIKey | OGMARHJAPWBNFA-UHFFFAOYSA-N |
Product Overview
Vancomycin CDP-1 (CAS 555598-85-1), with molecular formula C66H74Cl2N8O25 and molecular weight 1448.41 g/mol. IUPAC: 49-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,15-dichloro-2,18,33,36,38-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,24,27,43,45-pentaoxo-7,13-dioxa-21,25,28,42,44-pentazaoctacyclo[27.14.2.23,6.214,17.18,12.130,34.010,26.035,40]henpentaconta-3,5,8(49),9,11,14,16,30(46),31,33,35(40),36,38,47,50-pentadecaene-22,41-dicarboxylic acid.
Chemical Property Profile of Vancomycin CDP-1
Property Insights of Vancomycin CDP-1
The XLogP value of -4.2 indicates that Vancomycin CDP-1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 525.0 Ų indicates high polarity, suggesting Vancomycin CDP-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vancomycin CDP-1 has 19 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 Vancomycin CDP-1?
The CAS number of Vancomycin CDP-1 is 555598-85-1.
What is the molecular formula of Vancomycin CDP-1?
The molecular formula of Vancomycin CDP-1 is C66H74Cl2N8O25.
What is the molecular weight of Vancomycin CDP-1?
The molecular weight of Vancomycin CDP-1 is 1448.41 g/mol.
Where can I buy Vancomycin CDP-1?
You can request a quote for Vancomycin CDP-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vancomycin CDP-1?
Yes, KEHONG BIO provides custom synthesis services for Vancomycin CDP-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.