S-(5')-Adenosyl-3-thiopropylamine, min.98% (HPLC)

Name: S-(5')-Adenosyl-3-thiopropylamine
Brand: Chempure

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CAS Number

53186-57-5

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IUPAC name	(2S,3S,4R,5R)-2-(3-aminopropylsulfanylmethyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol
inchi	InChI=1S/C13H20N6O3S/c14-2-1-3-23-4-7-9(20)10(21)13(22-7)19-6-18-8-11(15)16-5-17-12(8)19/h5-7,9-10,13,20-21H,1-4,14H2,(H2,15,16,17)/t7-,9-,10-,13-/m1/s1
inchi key	FUSRAALGPJJIRO-QYVSTXNMSA-N
molecular formula	C13H20N6O3S
synonyms	S-Adenosyl-3-thiopropylamine 53186-57-5 5'-S-(3-Aminopropyl)-5'-Thioadenosine CHEMBL538693 CHEBI:79030
Compound Description	S-adenosyl-3-thiopropylamine is a thioadenosine that is adenosine in which the hydroxy group at C-5' is replaced by a 3-aminopropyl group. It is a thioadenosine, an organic sulfide and a primary amino compound.

Computed Properties

Molecular Weight:	340.40 g/mol
XLogP3:	-0.9
Hydrogen Bond Donor Count:	4
Hydrogen Bond Acceptor Count:	9
Rotatable Bond Count:	6
Exact Mass:	340.13175969 Da
Monoisotopic Mass:	340.13175969 Da
Topological Polar Surface Area:	171 Å²
Heavy Atom Count:	23
Formal Charge:	0
Complexity:	395
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	4
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 2 (100%)
precautionary statement codes	P264, P270, P301+P316, P321, P330, P405, and P501
hazard statements	H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

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Product No: DT7901

S-(5')-Adenosyl-3-thiopropylamine, min.98% (HPLC)

Product No: DT7901

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