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(3-amino-3-carboxypropyl)-[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl]-methylsulfanium

(3-amino-3-carboxypropyl)-[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl]-methylsulfanium structure

CAS No:
68385-00-2
Formula:
C15H21N6O5S+
Chemical Name:
(3-amino-3-carboxypropyl)-[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl]-methylsulfanium
Synonyms:
S-adenosylmethionine-2',3'-dialdehyde;68385-00-2;S-Adenosylmethionine-2',3'-dialdehyde;DTXSID90987932;(3-Amino-3-carboxypropyl){2-[1-(6-amino-9H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl}methylsulfanium;Sulfonium, (3-amino-3-carboxypropyl)(2-(1-(6-amino-9H-purin-9-yl)-2-oxoethoxy)-3-oxopropyl)methyl-, stereoisomer

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(3-amino-3-carboxypropyl)-[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl]-methylsulfanium Basic Attributes

Molecular Weight：

397.4 g/mol

Exact Mass：

397.12941397 g/mol

Characteristics

PSA：

177 Å²

Drug Information

MeSH Entry Terms：

S-adenosylmethionine-2',3'-dialdehyde

Computed Properties

Molecular Weight:397.4
XLogP3:-3.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:397.12941397
Monoisotopic Mass:397.12941397
Topological Polar Surface Area:177
Heavy Atom Count:27
Formal Charge:1
Complexity:529
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: formula for potassium sulfide; n2o4 lewis structure; caprylic/capric triglyceride; fluoroethylene carbonate; amber acid; glibenclamide

Guide of (3-amino-3-carboxypropyl)-[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl]-methylsulfanium

Basic Attributes
Characteristics
Drug Information
Computed Properties

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