报春霉素B
TL;DR: 报春霉素B (CAS 104840-34-8) is a chemical compound with molecular formula C24H44N12O7 and molecular weight 612.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
报春霉素B
(2S,3S,4S,5R,6R)-N-[3-(4-aminobutylamino)propyl]-6-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R)-3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]propanoyl]amino]-4,5-dihydroxyoxane-2-carboxamide
Also Known As: Bagougeramine B, (2S,3S,4S,5R,6R)-N-[3-(4-aminobutylamino)propyl]-6-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R)-3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]propanoyl]amino]-4,5-dihydroxyoxane-2-carboxamide, beta-D-Glucopyranuronamide, N-(3-((4-aminobutyl)amino)propyl)-4-((3-((aminoiminomethyl)amino)-N-(N-methylglycyl)-D-alanyl)amino)-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,4-dideoxy-, (2S,3S,4S,5R,6R)-6-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-{3-[(4-aminobutyl)amino]propyl}-3-[(2R)-3-carbamimidamido-2-[2-(methylamino)acetamido]propanamido]-4,5-dihydroxyoxane-2-carboxamide, (2S,3S,4S,5R,6R)-N-(3-(4-aminobutylamino)propyl)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(((2R)-3-(diaminomethylideneamino)-2-((2-(methylamino)acetyl)amino)propanoyl)amino)-4,5-dihydroxyoxane-2-carboxamide
| Molecular Formula | C24H44N12O7 |
|---|---|
| Molecular Weight | 612.35 g/mol |
| LogP | -6.1 |
| Topological Polar Surface Area | 310.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 17 |
| Exact Mass | 612.3456 |
| Heavy Atoms | 43 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 104840-34-8 |
|---|---|
| SMILES | CNCC(=O)N[C@H](CN=C(N)N)C(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)NCCCNCCCCN)N2C=CC(=NC2=O)N)O)O |
| InChIKey | LCASODQCASDDLN-WEYBRJQASA-N |
Product Overview
报春霉素B (CAS 104840-34-8), with molecular formula C24H44N12O7 and molecular weight 612.35 g/mol. IUPAC: (2S,3S,4S,5R,6R)-N-[3-(4-aminobutylamino)propyl]-6-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R)-3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]propanoyl]amino]-4,5-dihydroxyoxane-2-carboxamide.
Chemical Property Profile of 报春霉素B
Property Insights of 报春霉素B
The XLogP value of -6.1 indicates that 报春霉素B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 310.0 Ų indicates high polarity, suggesting 报春霉素B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 报春霉素B has 11 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 报春霉素B?
The CAS number of 报春霉素B is 104840-34-8.
What is the molecular formula of 报春霉素B?
The molecular formula of 报春霉素B is C24H44N12O7.
What is the molecular weight of 报春霉素B?
The molecular weight of 报春霉素B is 612.35 g/mol.
Where can I buy 报春霉素B?
You can request a quote for 报春霉素B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 报春霉素B?
Yes, KEHONG BIO provides custom synthesis services for 报春霉素B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.