1-hydroxy-11-deoxycarminomycin II
PubChem CID
127155
Structure
Molecular Formula
Synonyms
- 1-Hydroxy-11-deoxycarminomycin II
- 98791-58-3
- 9-acetyl-7-[4-amino-5-[3-hydroxy-1-(1-hydroxypropan-2-yloxy)butoxy]-6-methyloxan-2-yl]oxy-1,4,6,9-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
- 5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-4-O-(3-hydroxy-1-(2-hydroxy-1-methylethoxy)butyl)-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-1,4,6,9-tetrahydroxy-
- DTXSID60913081
Molecular Weight
659.7 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-08-08
- Modify:2024-12-14
Chemical Structure Depiction
Conformer generation is disallowed since too many undefined stereo centers
9-acetyl-7-[4-amino-5-[3-hydroxy-1-(1-hydroxypropan-2-yloxy)butoxy]-6-methyloxan-2-yl]oxy-1,4,6,9-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C33H41NO13/c1-13(36)7-23(44-14(2)12-35)47-32-15(3)45-24(9-19(32)34)46-22-11-33(43,16(4)37)10-17-8-18-26(30(41)25(17)22)31(42)28-21(39)6-5-20(38)27(28)29(18)40/h5-6,8,13-15,19,22-24,32,35-36,38-39,41,43H,7,9-12,34H2,1-4H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
DCGOFZOYERDTJE-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC1C(C(CC(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C=CC(=C5C4=O)O)O)(C(=O)C)O)N)OC(CC(C)O)OC(C)CO
Computed by OEChem 2.3.0 (PubChem release 2024.11.20)
C33H41NO13
Computed by PubChem 2.2 (PubChem release 2024.11.20)
98791-58-3
1-hydroxy-11-deoxycarminomycin II
- 1-Hydroxy-11-deoxycarminomycin II
- 98791-58-3
- 9-acetyl-7-[4-amino-5-[3-hydroxy-1-(1-hydroxypropan-2-yloxy)butoxy]-6-methyloxan-2-yl]oxy-1,4,6,9-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
- 5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-4-O-(3-hydroxy-1-(2-hydroxy-1-methylethoxy)butyl)-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-1,4,6,9-tetrahydroxy-
- DTXSID60913081
- 3-acetyl-3,7,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-o-{3-hydroxy-1-[(1-hydroxypropan-2-yl)oxy]butyl}hexopyranoside
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
659.7 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
1.9
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
14
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
659.25779036 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
659.25779036 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
236Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
47
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
1160
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
9
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChemIDplus1-Hydroxy-11-deoxycarminomycin IIhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0098791583ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox3-Acetyl-3,7,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-{3-hydroxy-1-[(1-hydroxypropan-2-yl)oxy]butyl}hexopyranosidehttps://comptox.epa.gov/dashboard/DTXSID60913081CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Wikidata3-Acetyl-3,7,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-{3-hydroxy-1-[(1-hydroxypropan-2-yl)oxy]butyl}hexopyranosidehttps://www.wikidata.org/wiki/Q82883605
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html1-hydroxy-11-deoxycarminomycin IIhttps://www.ncbi.nlm.nih.gov/mesh/67045963
CONTENTS