 Home > Encyclopedia > [(2R,3S,4R,5R)-5-[6-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-4-methylpentanoate

[(2R,3S,4R,5R)-5-[6-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-4-methylpentanoate

[(2R,3S,4R,5R)-5-[6-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-4-methylpentanoate structure

CAS No:
64542-53-6
Formula:
C28H39N11O9
Chemical Name:
[(2R,3S,4R,5R)-5-[6-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-4-methylpentanoate
Synonyms:
1,2-di(adenosine-N(6)-yl)ethane-2'(3')-O-L-leucyl derivative;1,2-Di(adenosine-N(6)-yl)ethane-2'(3')-O-L-leucyl derivative;L-Leucine, 2'(or 3')-ester with N,N'-1,2-ethanediylbis(adenosine);64542-53-6

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[(2R,3S,4R,5R)-5-[6-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-4-methylpentanoate Basic Attributes

Molecular Weight：

673.7 g/mol

Exact Mass：

673.29322186 g/mol

Characteristics

PSA：

283 Å²

Drug Information

MeSH Entry Terms：

1,2-di(adenosine-N(6)-yl)ethane-2'(3')-O-L-leucyl derivative

Computed Properties

Molecular Weight:673.7
XLogP3:-1.9
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:14
Exact Mass:673.29322186
Monoisotopic Mass:673.29322186
Topological Polar Surface Area:283
Heavy Atom Count:48
Complexity:1070
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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[(2R,3S,4R,5R)-5-[6-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-phenylpropanoate

64542-52-5

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Guide of [(2R,3S,4R,5R)-5-[6-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-4-methylpentanoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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