11-OH Pradimicin T1
TL;DR: 11-OH Pradimicin T1 (CAS 150693-43-9) is a chemical compound with molecular formula C37H37NO19 and molecular weight 799.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,11,14-pentahydroxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid
Also Known As: 11-OH PRADIMICIN T1, 11-Hydroxypradimicin T 1, 2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,11,14-pentahydroxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid, Glycine, N-((5-((6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,11,14-pentahydroxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-, [(5S,6S)-5-{[(2S,3R,4S,5S,6R)-3,5-Dihydroxy-6-methyl-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-1,6,9,11,14-pentahydroxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxamido]acetic acid
| Molecular Formula | C37H37NO19 |
|---|---|
| Molecular Weight | 799.20 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 340.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 7 |
| Exact Mass | 799.196 |
| Heavy Atoms | 57 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 150693-43-9 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NCC(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O |
| InChIKey | BFYQOBJTZWZTHU-YJZWZTCPSA-N |
Product Overview
11-OH Pradimicin T1 (CAS 150693-43-9), with molecular formula C37H37NO19 and molecular weight 799.20 g/mol. IUPAC: 2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,11,14-pentahydroxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid.
Chemical Property Profile of 11-OH Pradimicin T1
Property Insights of 11-OH Pradimicin T1
The XLogP value of -0.6 indicates that 11-OH Pradimicin T1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 340.0 Ų indicates high polarity, suggesting 11-OH Pradimicin T1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11-OH Pradimicin T1 has 12 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-OH Pradimicin T1?
The CAS number of 11-OH Pradimicin T1 is 150693-43-9.
What is the molecular formula of 11-OH Pradimicin T1?
The molecular formula of 11-OH Pradimicin T1 is C37H37NO19.
What is the molecular weight of 11-OH Pradimicin T1?
The molecular weight of 11-OH Pradimicin T1 is 799.20 g/mol.
Where can I buy 11-OH Pradimicin T1?
You can request a quote for 11-OH Pradimicin T1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-OH Pradimicin T1?
Yes, KEHONG BIO provides custom synthesis services for 11-OH Pradimicin T1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.