11-O-xylosylpradimicin H
TL;DR: 11-O-xylosylpradimicin H (CAS 152632-91-2) is a chemical compound with molecular formula C44H50N2O22 and molecular weight 958.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-methyl-8,13-dioxo-11-(3,4,5-trihydroxyoxan-2-yl)oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
Also Known As: 11-o-xylosylpradimicin H, 11-O-L-Xylosylpradimicin H, D-Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-11-(beta-L-xylopyranosyloxy)benzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-, 2-[[1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-methyl-8,13-dioxo-11-(3,4,5-trihydroxyoxan-2-yl)oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
| Molecular Formula | C44H50N2O22 |
|---|---|
| Molecular Weight | 958.29 g/mol |
| LogP | -2.80248 |
| Topological Polar Surface Area | 390.48 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 10 |
| Exact Mass | 958.2855 |
| Heavy Atoms | 68 |
| Complexity | 2536.5625 |
Chemical Identifiers
| CAS Number | 152632-91-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(C)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC7C(C(C(CO7)O)O)O)O)O)O)OC8C(C(C(CO8)O)O)O)NC |
Product Overview
11-O-xylosylpradimicin H (CAS 152632-91-2), with molecular formula C44H50N2O22 and molecular weight 958.29 g/mol. IUPAC: 2-[[1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-methyl-8,13-dioxo-11-(3,4,5-trihydroxyoxan-2-yl)oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid.
Chemical Property Profile of 11-O-xylosylpradimicin H
Property Insights of 11-O-xylosylpradimicin H
The XLogP value of -2.80248 indicates that 11-O-xylosylpradimicin H is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 390.48 Ų indicates high polarity, suggesting 11-O-xylosylpradimicin H may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11-O-xylosylpradimicin H has 14 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-O-xylosylpradimicin H?
The CAS number of 11-O-xylosylpradimicin H is 152632-91-2.
What is the molecular formula of 11-O-xylosylpradimicin H?
The molecular formula of 11-O-xylosylpradimicin H is C44H50N2O22.
What is the molecular weight of 11-O-xylosylpradimicin H?
The molecular weight of 11-O-xylosylpradimicin H is 958.29 g/mol.
Where can I buy 11-O-xylosylpradimicin H?
You can request a quote for 11-O-xylosylpradimicin H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-O-xylosylpradimicin H?
Yes, KEHONG BIO provides custom synthesis services for 11-O-xylosylpradimicin H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.