[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-benzoyl-3-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]benzoate,N,N-diethylethanamine
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![[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-benzoyl-3-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]benzoate,N,N-diethylethanamine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/19d37e728dab4e40a23351e896fc237e.png "[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-benzoyl-3-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]benzoate,N,N-diethylethanamine")
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-benzoyl-3-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]benzoate,N,N-diethylethanamine
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CAS No:
112898-14-3
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Formula:
C31H41N6O17P3
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Chemical Name:
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-benzoyl-3-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]benzoate,N,N-diethylethanamine
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Synonyms:
Benzoylbenzoyl-GTP; 2 inverted exclamation marka-3 inverted exclamation marka-O-(4-Benzoylbenzoyl)guanosine 5 inverted exclamation marka-triphosphate triethylammonium salt;
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CAS No:
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-benzoyl-3-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]benzoate,N,N-diethylethanamine Basic Attributes
862.60900
862.17410485
DTXSID30745497
Computed Properties
Molecular Weight:862.6
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:17
Exact Mass:862.17410485
Monoisotopic Mass:862.17410485
Topological Polar Surface Area:341
Heavy Atom Count:57
Complexity:1500
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
- Hot Searches
- xanthine
- cefepime drug
- aloh3
- borane
- sodium pentothal
- succinic acid
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