Astato-2-methyl-1,4-naphthoquinol diphosphate
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Basic information
- CAS
81781-58-0- Standard SMILES
Cc1cc(OP(=O)(O)O)c2cc([211At])ccc2c1OP(=O)(O)O- InChIKey
XYBHPEVJUKXDHZ-HNHCFKFXSA-N- Molecular formula
- C11H11AtO8P2
- Average molar mass
- 544.13 g/mol
- Monoisotopic mass
- 543.98041
Overview
RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- Astato-2-methyl-1,4-naphthoquinol diphosphate
- IUPAC
- (6-methyl-5,8-diphosphonooxynaphthalen-2-yl)(211At)astatine-211
- English name
- astato-2-methyl-1,4-naphthoquinol diphosphate
- Molecular formula
- C11H11AtO8P2
- Molecular weight
- 544.156762
Names & synonyms
At-MnqdpAstato-2-methyl-1,4-naphthoquinol diphosphate81781-58-0Astato-2-methyl-1,4-naphthoquinol bis(disodium phosphate)1,4-Naphthalenediol, 6-(astato-211At)-2-methyl-, bis(dihydrogen phosphate), tetrasodium saltRefChem:115248DTXSID301002195(6-methyl-5,8-diphosphonooxynaphthalen-2-yl)(211At)astatine-211[6-Methyl-5,8-bis(phosphonooxy)naphthalen-2-yl](~211~At)astatine
Database identifiers
- CAS
81781-58-0- PubChem CID
- 163335
- DTXSID
DTXSID301002195
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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