 Home > Encyclopedia > (2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-isothiocyanatophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide

(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-isothiocyanatophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide

(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-isothiocyanatophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide structure

CAS No:
157848-36-7
Formula:
C19H19N7O4S
Chemical Name:
(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-isothiocyanatophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide
Synonyms:
IBAMUN;N(6)-(3-isothiocyanatobenzyl)adenosine-5'-N-methyluronamide;Ibamun;157848-36-7;N(6)-(3-Isothiocyanatobenzyl)adenosine-5'-N-methyluronamide;Adenosine, 4'-methylaminoformyl-4'-deshydroxymethyl-N-[3-isothiocyanatobenzyl]-

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(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-isothiocyanatophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide Basic Attributes

Molecular Weight：

441.5 g/mol

Exact Mass：

441.12192329 g/mol

Characteristics

PSA：

179 Å²

Drug Information

MeSH Entry Terms：

IBAMUN

Computed Properties

Molecular Weight:441.5
XLogP3:1.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:441.12192329
Monoisotopic Mass:441.12192329
Topological Polar Surface Area:179
Heavy Atom Count:31
Complexity:696
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-isothiocyanatophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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