methyl 4-[4-dimethylamino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxo-oxan -2-yl)oxy-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-6 ,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate (CAS 87080-93-1) — formula C42H53NO14, molecular weight 795.9; category organic chemicals.
| CAS Number | 87080-93-1 |
|---|---|
| Molecular Formula | C42H53NO14 |
| Molecular Weight | 795.9 |
| LogP | 4.2 |
| Category | Organic Chemicals |
methyl 4-[4-dimethylamino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxo-oxan -2-yl)oxy-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-6 ,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate is a carbon-based organic compound with CAS registry number 87080-93-1 and molecular formula C42H53NO14 (molecular weight 795.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 87080-93-1
Its molecular formula C42H53NO14 comprises 42 C, 53 H, 1 N, 14 O atoms.
Also known as: methyl 4-[4-dimethylamino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxo-oxan -2-yl)oxy-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-6 ,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate · 4-[4-二甲氨基-5-[4-羟基-6-甲基-5-(6-甲基-5-氧代-2-基)氧基-氧杂环-2-基]氧基-6-甲基-氧杂环己烷-2-基]氧基-2-乙基-2,5-二羟基-6,11-二氧代-3,4-二氢-1H-并四苯-1-甲酸甲酯
Category: organic chemicals
The CAS registry number of methyl 4-[4-dimethylamino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxo-oxan -2-yl)oxy-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-6 ,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate is 87080-93-1.
Molecular formula C42H53NO14, molecular weight 795.9.
It is also registered under: methyl 4-[4-dimethylamino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxo-oxan -2-yl)oxy-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-6 ,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate, 4-[4-二甲氨基-5-[4-羟基-6-甲基-5-(6-甲基-5-氧代-2-基)氧基-氧杂环-2-基]氧基-6-甲基-氧杂环己烷-2-基]氧基-2-乙基-2,5-二羟基-6,11-二氧代-3,4-二氢-1H-并四苯-1-甲酸甲酯.
Category: Organic Chemicals.
Independent reference data for methyl 4-[4-dimethylamino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxo-oxan -2-yl)oxy-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-6 ,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate (CAS 87080-93-1), compiled from public chemistry databases.
| CAS 号 | 87080-93-1 |
|---|---|
| PubChem CID | 3070903 |
| 分子式 | C42H53NO14 |
| IUPAC 名称 | methyl 4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate |
| Molecular Weight | 795.9 |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 10 |
| Exact Mass | 795.34660536 |
| Monoisotopic Mass | 795.34660536 |
| Topological Polar Surface Area | 197 |
| Heavy Atom Count | 57 |
4-Deoxyaclacinomycin A; 87080-93-1; RefChem:292332; DTXSID301007321
4-[4-二甲氨基-5-[4-羟基-6-甲基-5-(6-甲基-5-氧代-2-基)氧基-氧杂环-2-基]氧基-6-甲基-氧杂环己烷-2-基]氧基-2-乙基-2,5-二羟基-6,11-二氧代-3,4-二氢-1H-并四苯-1-甲酸甲酯 · CAS 87080-93-1 · C42H53NO14.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.