8- Mercaptoguanosine

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CAS Number

26001-38-7

Shipping Conditions

Ambient

Storage Temperature

-20C / -4F

Chemical Information

8-Mercaptoguanosine

lymphocyte activator

CAS Number	26001-38-7
PubChem CID	135457302
IUPAC Name	2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-sulfanylidene-1,7-dihydropurin-6-one
Molecular Formula	C10H13N5O5S
Molecular Weight	315.31
XLogP	-3
Topological Polar Surface Area	185
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	578

SMILES

C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=S)O)O)O

InChI

InChI=1S/C10H13N5O5S/c11-9-13-6-3(7(19)14-9)12-10(21)15(6)8-5(18)4(17)2(1-16)20-8/h2,4-5,8,16-18H,1H2,(H,12,21)(H3,11,13,14,19)/t2-,4-,5-,8-/m1/s1

InChIKey

KZELNMSPWPFAEB-UMMCILCDSA-N

Chemical Structure

2D Structure

CAS: 26001-38-7

CID: 135457302

Formula: C10H13N5O5S

MW: 315.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.31
XLogP3	-3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	315.06373971
Monoisotopic Mass	315.06373971
Topological Polar Surface Area	185 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	578
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

Catalog	Name
N 003-05	8- Nitroguanine (8-NO₂-Gua)
N 004-05	8- Nitroguanosine (8-NO₂-Guo)
N 004-25	8- Nitroguanosine (8-NO₂-Guo)
N 003-25	8- Nitroguanine (8-NO₂-Gua)
H 011-25	8- Hydroxyadenosine (8-OH-Ado)
H 002-500	8- Hydroxyguanine (8-OH-Gua)
H 002-100	8- Hydroxyguanine (8-OH-Gua)
C 091-10	8- Carboxyethylaminoadenine (8-CEA-Ade)
C 044-50	8- Chloroxanthine (8-Cl-X)
C 026-25	8- Chloroguanosine (8-Cl-Guo)

Catalog	Name
T88069-01	8-Mercaptoguanosine