![[4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate structure](/static/products/8991/89912-77-6.webp)
[4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate
TL;DR: [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate (CAS 89912-77-6) is a chemical compound with molecular formula C31H31IO13 and molecular weight 738.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate
Also Known As: [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate, 7-O-(3,4-Di-O-acetyl-2,6-dideoxy-2-iodo-alpha-mannopyranosyl)daunomycinone, 7-O-(3,4-Di-O-acetyl-2,6-dideoxy-2-iodo-alpha-talopyranosyl)daunomycinone, 3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3,4-di-O-acetyl-2,6-dideoxy-2-iodohexopyranoside, 5,12-Naphthacenedione, 8-acetyl-10-((3,4-di-O-acetyl-2,6-dideoxy-2-iodo-alpha-L-mannopyanosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-
| Molecular Formula | C31H31IO13 |
|---|---|
| Molecular Weight | 738.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 738.08093 |
| Heavy Atoms | 45 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 89912-77-6 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)I)OC(=O)C)OC(=O)C |
| InChIKey | TVTRKVQTCXCERI-UHFFFAOYSA-N |
Product Overview
[4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate (CAS 89912-77-6), with molecular formula C31H31IO13 and molecular weight 738.08 g/mol. IUPAC: [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate.
Chemical Property Profile of [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate
Property Insights of [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate
The XLogP value of 3.9 indicates that [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.0 Ų indicates high polarity, suggesting [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate?
The CAS number of [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate is 89912-77-6.
What is the molecular formula of [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate?
The molecular formula of [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate is C31H31IO13.
What is the molecular weight of [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate?
The molecular weight of [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate is 738.08 g/mol.
Where can I buy [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate?
You can request a quote for [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [4-acetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-5-iodo-2-methyloxan-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.