5,5'-((1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)(2,2'-binaphthalene)-8,8'-diyl)dimethylidyne)bis(2,4,6(1H,3H,5H)-pyrimidinetrione)
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Basic information
- CAS
56509-01-4- Standard SMILES
Cc1cc2c(C(C)C)c(O)c(O)c(C=C3C(=O)NC(=O)NC3=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=C3C(=O)NC(=O)NC3=O)c2c1O- InChIKey
IIRJCUDCUZICFH-UHFFFAOYSA-N- Molecular formula
- C38H34N4O12
- Average molar mass
- 738.7 g/mol
- Monoisotopic mass
- 738.21732253
Overview
N1 same as SY #1; MF unknown
Names & identifiers
- Preferred name
- 5,5'-((1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)(2,2'-binaphthalene)-8,8'-diyl)dimethylidyne)bis(2,4,6(1H,3H,5H)-pyrimidinetrione)
- IUPAC
- 5-[[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-3-methyl-5-propan-2-yl-8-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]naphthalen-2-yl]naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione
- English name
- batridene
- Molecular formula
- C38H34N4O12
- Molecular weight
- 738.7
Names & synonyms
BatrideneBatriden56509-01-4DTXSID80205051RefChem:912914DTXCID801275425,5'-((1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)(2,2'-binaphthalene)-8,8'-diyl)dimethylidyne)bis(2,4,6(1H,3H,5H)-pyrimidinetrione)5-[[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-3-methyl-5-propan-2-yl-8-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]naphthalen-2-yl]naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione5,5'-{[1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-8,8'-diyl]dimethanylylidene}di(1,3-diazinane-2,4,6-trione)GBK2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-[[1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-diyl]dimethylidyne]bis-
Database identifiers
- CAS
56509-01-4- PubChem CID
- 5486855
- DTXSID
DTXSID80205051
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 272 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,480
Physicochemical properties
- Density
- 1.542 · 1.542±0.06 g/cm3(Predicted)
- pka
- 6.06 · 6.06±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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