5,12-Naphthacenedione, 10-(2R,4S,5S,6S)-4-aminotetrahydro-5-iodo-6-methyl-2H-pyran-2-yloxy-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)- (CAS 83997-75-5) — formula C27H28INO10, molecular weight 653.4; category organic chemicals.
| CAS Number | 83997-75-5 |
|---|---|
| Molecular Formula | C27H28INO10 |
| Molecular Weight | 653.4 |
| LogP | 1.53 |
| Category | Organic Chemicals |
5,12-Naphthacenedione, 10-(2R,4S,5S,6S)-4-aminotetrahydro-5-iodo-6-methyl-2H-pyran-2-yloxy-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)- is a carbon-based organic compound with CAS registry number 83997-75-5 and molecular formula C27H28INO10 (molecular weight 653.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 83997-75-5
Its molecular formula C27H28INO10 comprises 27 C, 28 H, 1 I, 1 N, 10 O atoms.
Also known as: 5,12-Naphthacenedione, 10-(2R,4S,5S,6S)-4-aminotetrahydro-5-iodo-6-methyl-2H-pyran-2-yloxy-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)- · 5,12-萘二酮、10-(2R,4S,5S,6S)-4-氨基四氢-5-碘-6-甲基-2H-吡喃-2-基氧基-7,8,9,10-四氢-6,8,11-三羟基-8-(羟基乙酰基)-1-甲氧基-,(8S,10S)-
Category: organic chemicals
The CAS registry number of 5,12-Naphthacenedione, 10-(2R,4S,5S,6S)-4-aminotetrahydro-5-iodo-6-methyl-2H-pyran-2-yloxy-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)- is 83997-75-5.
Molecular formula C27H28INO10, molecular weight 653.4.
It is also registered under: 5,12-Naphthacenedione, 10-(2R,4S,5S,6S)-4-aminotetrahydro-5-iodo-6-methyl-2H-pyran-2-yloxy-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-, 5,12-萘二酮、10-(2R,4S,5S,6S)-4-氨基四氢-5-碘-6-甲基-2H-吡喃-2-基氧基-7,8,9,10-四氢-6,8,11-三羟基-8-(羟基乙酰基)-1-甲氧基-,(8S,10S)-.
Category: Organic Chemicals.
Independent reference data for 5,12-Naphthacenedione, 10-(2R,4S,5S,6S)-4-aminotetrahydro-5-iodo-6-methyl-2H-pyran-2-yloxy-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)- (CAS 83997-75-5), compiled from public chemistry databases.
| CAS 号 | 83997-75-5 |
|---|---|
| PubChem CID | 108161 |
| 分子式 | C27H28INO10 |
| IUPAC 名称 | (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-iodo-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione |
| UNII（FDA） | 65JH75I9JX |
| Molecular Weight | 653.4 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 5 |
| Exact Mass | 653.07579 |
| Monoisotopic Mass | 653.07579 |
| Topological Polar Surface Area | 186 |
| Heavy Atom Count | 39 |
| LogP | 1.53 |
|---|
Iododoxorubicin; 4'-Iodo-4'-deoxydoxorubicin; 4'-Deoxy-4'-iododoxorubicin; 83997-75-5; 4'-deoxy-4'-IDX; 65JH75I9JX; FCE-21954; CHEBI:47897; 4'-iododoxorubicin; 4'-iododeoxyrubicin; RefChem:95964; NSC-378901; FCE 21954; Iodo-Dox; PDQGEKGUTOTUNV-TZSSRYMLSA-N; DTXSID301004258
5,12-萘二酮、10-(2R,4S,5S,6S)-4-氨基四氢-5-碘-6-甲基-2H-吡喃-2-基氧基-7,8,9,10-四氢-6,8,11-三羟基-8-(羟基乙酰基)-1-甲氧基-,(8S,10S)- · CAS 83997-75-5 · C27H28INO10. UNII 65JH75I9JX. LogP: 1.53.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.