A 53930b
TL;DR: A 53930b (CAS 182697-76-3) is a chemical compound with molecular formula C43H82N16O12 and molecular weight 1014.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3,4-dihydroxyoxan-2-yl]methyl carbamate
Also Known As: A 53930b, A-53930B, [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3,4-dihydroxyoxan-2-yl]methyl carbamate, 4H-Imidazo(4,5-c)pyridin-4-one, 1,3a,5,6,7,7a-hexahydro-2-((6-O-(aminocarbonyl)-2-deoxy-2-(((3S,10S,17S,24S,31S)-3,10,17,24,31,34-hexamino-1,8,15,22,29-pentaoxo-7,14,21,28-tetraazatetratriacont-1-yl)amino)-beta-D-gulopyranosyl)amino)-7-hydroxy-, (3aS,7R,7aS)-, ((2R,3R,4S,5R,6R)-6-(((3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo(4,5-c)pyridin-2-yl)amino)-5-(((3S)-3-amino-6-(((3S)-3-amino-6-(((3S)-3-amino-6-(((3S)-3-amino-6-(((3S)-3,6-diaminohexanoyl)amino)hexanoyl)amino)hexanoyl)amino)hexanoyl)amino)hexanoyl)amino)-3,4-dihydroxyoxan-2-yl)methyl carbamate
| Molecular Formula | C43H82N16O12 |
|---|---|
| Molecular Weight | 1014.63 g/mol |
| LogP | -7.2986 |
| Topological Polar Surface Area | 489.38 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 33 |
| Exact Mass | 1014.6298 |
| Heavy Atoms | 71 |
| Complexity | 1736.6481 |
Chemical Identifiers
| CAS Number | 182697-76-3 |
|---|---|
| SMILES | C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)COC(=O)N)O)O)NC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCN)N)N)N)N)N)O |
Product Overview
A 53930b (CAS 182697-76-3), with molecular formula C43H82N16O12 and molecular weight 1014.63 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3,4-dihydroxyoxan-2-yl]methyl carbamate.
Chemical Property Profile of A 53930b
Property Insights of A 53930b
The XLogP value of -7.2986 indicates that A 53930b is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 489.38 Ų indicates high polarity, suggesting A 53930b may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A 53930b has 18 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A 53930b?
The CAS number of A 53930b is 182697-76-3.
What is the molecular formula of A 53930b?
The molecular formula of A 53930b is C43H82N16O12.
What is the molecular weight of A 53930b?
The molecular weight of A 53930b is 1014.63 g/mol.
Where can I buy A 53930b?
You can request a quote for A 53930b directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A 53930b?
Yes, KEHONG BIO provides custom synthesis services for A 53930b and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.