Cas no 64314-52-9 (5,12-Naphthacenedione,7-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-,(7S,9S)-)
![5,12-Naphthacenedione,7-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-,(7S,9S)- structure](https://ossimg.kuujia.com/scimg/64500/64314-52-9x500.png)
64314-52-9 structure
Product Name:5,12-Naphthacenedione,7-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-,(7S,9S)-
CAS No:64314-52-9
MF:C26H27NO10
MW:513.49328827858
CID:512222
Update Time:2025-04-19
5,12-Naphthacenedione,7-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-,(7S,9S)- Chemical and Physical Properties
Names and Identifiers
-
- 5,12-Naphthacenedione,7-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-,(7S,9S)-
- 5,12-Naphthacenedione,7-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(2-hydro
- Medorubicin
- 4-Demethoxyadriamycin
- 4-demethoxydoxorubicin
- Medorubicina
-
- Inchi： 1S/C26H27NO10/c1-10-21(30)14(27)6-17(36-10)37-15-8-26(35,16(29)9-28)7-13-18(15)25(34)20-19(24(13)33)22(31)11-4-2-3-5-12(11)23(20)32/h2-5,10,14-15,17,21,28,30,33-35H,6-9,27H2,1H3
- InChI Key： XVXGYZFARCOVHS-UHFFFAOYSA-N
- SMILES： CC1C(O)C(N)CC(OC2C3C(=C(C4=C(C=3O)C(=O)C3C(=CC=CC=3)C4=O)O)CC(C(CO)=O)(O)C2)O1
Computed Properties
- Exact Mass: 513.16300
- Monoisotopic Mass: 513.163496
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 37
- Rotatable Bond Count: 4
- Complexity: 929
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 197
Experimental Properties
- Density: 1.3763 (rough estimate)
- Boiling Point: 599.5°C (rough estimate)
- Flash Point: 417.3°C
- Refractive Index: 1.6000 (estimate)
- PSA: 196.84000
- LogP: 0.69300
5,12-Naphthacenedione,7-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-,(7S,9S)- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
64314-52-9 (5,12-Naphthacenedione,7-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-,(7S,9S)-) Related Products
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