Basic information
- CAS
98183-93-8- Standard SMILES
CCC1(O)CC(OC2CC(N(C)C)C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)c2cc3c(c(O)c2C1OC1CC(N(C)C)C(OC2CC4OC5CC(=O)C(C)OC5OC4C(C)O2)C(C)O1)C(=O)c1c(O)ccc(O)c1C3=O- InChIKey
ZOAWPNFRCKMMNQ-NKEUGAILSA-N- Molecular formula
- C60H80N2O22
- Average molar mass
- 1,181.3 g/mol
- Monoisotopic mass
- 1,180.52027218
Overview
isolated from Streptomyces cyaneus; structure given in first source
Names & identifiers
- Preferred name
- 1-Hydroxyserirubicin
- IUPAC
- 7,10-bis[[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy]-9-ethyl-1,4,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
- English name
- 1-hydroxyserirubicin
- Molecular formula
- C60H80N2O22
- Molecular weight
- 1181.28
Names & synonyms
1-Hydroxyserirubicin98183-93-87,10-bis[[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy]-9-ethyl-1,4,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione7,10-bis((4-(dimethylamino)-5-((5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo(8.4.0.03,8)tetradecan-12-yl)oxy)-6-methyloxan-2-yl)oxy)-9-ethyl-1,4,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dioneRefChem:76059Serirubicin, 1-hydroxy-7,10-bis[[4-(dimethylamino)-5-[(2,9-dimethyl-3-oxo-4,4a,5a,6,7,9,9a,10a-octahydrodipyrano[4,2-a:4',3'-e][1,4]dioxin-7-yl)oxy]-6-methyloxan-2-yl]oxy]-9-ethyl-1,4,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Database identifiers
- CAS
98183-93-8- PubChem CID
- 175779
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 285 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 11
- Heavy atoms
- 84
- Formal charge
- 0
- Complexity
- 2,410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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