Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)-
TL;DR: Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)- (CAS 508241-91-6) is a chemical compound with molecular formula C76H96Cl2N10O23 and molecular weight 1586.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-N-decyl-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxamide
Also Known As: Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)-, Vancomycin, 26-decarboxy-26-[(decylamino)carbonyl]-, [(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-(2-amino-2-oxo-ethyl)-dichloro-N-decyl-pentahydroxy-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-pentaoxo-[?]carboxamide
| Molecular Formula | C76H96Cl2N10O23 |
|---|---|
| Molecular Weight | 1586.60 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 522.0 Ų |
| Hydrogen Bond Donors | 19 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 22 |
| Exact Mass | 1586.6027 |
| Heavy Atoms | 111 |
| Complexity | 3150.0 |
Chemical Identifiers
| CAS Number | 508241-91-6 |
|---|---|
| SMILES | CCCCCCCCCCNC(=O)[C@@H]1C2=C(C(=CC(=C2)O)O)C3=C(C=CC(=C3)[C@@H]4C(=O)N[C@@H]([C@@H](C5=CC(=C(C=C5)OC6=C(C7=CC(=C6)[C@H](C(=O)N4)NC(=O)[C@@H](NC(=O)[C@@H](C(C8=CC(=C(O7)C=C8)Cl)O)NC(=O)[C@@H](CC(C)C)NC)CC(=O)N)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]2C[C@]([C@@H]([C@@H](O2)C)O)(C)N)Cl)O)C(=O)N1)O |
| InChIKey | UUNRJROOHGEQSP-MUCWUSEMSA-N |
Product Overview
Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)- (CAS 508241-91-6), with molecular formula C76H96Cl2N10O23 and molecular weight 1586.60 g/mol. IUPAC: (1S,2R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-N-decyl-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxamide.
Chemical Property Profile of Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)-
Property Insights of Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)-
The XLogP value of 3.9 indicates that Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 522.0 Ų indicates high polarity, suggesting Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)- has 19 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)-?
The CAS number of Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)- is 508241-91-6.
What is the molecular formula of Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)-?
The molecular formula of Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)- is C76H96Cl2N10O23.
What is the molecular weight of Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)-?
The molecular weight of Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)- is 1586.60 g/mol.
Where can I buy Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)-?
You can request a quote for Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.