AG002ZXF

30377-37-8 | 6-amino-7H-purine-2,8-diol

AG002ZXF

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CAS Number	30377-37-8
Catalog Number	AG002ZXF(AGN-PC-0O8QWP)
Chemical Name	6-amino-7H-purine-2,8-diol
EC Number	250-158-1
IUPAC Name	6-amino-7,9-dihydro-1H-purine-2,8-dione
InChI	InChI=1S/C5H5N5O2/c6-2-1-3(9-4(11)7-1)10-5(12)8-2/h(H5,6,7,8,9,10,11,12)
InChI Key	XFBOJHLYDJZYSP-UHFFFAOYSA-N
MDL Number	MFCD22207595
Molecular Formula	C5H5N5O2
Molecular Weight	167.1255
SMILES	O=C1NC2=NC(NC2=C(N)N1)=O
Synonyms	2,8-dihydroxyadenine, 6-amino-2,8-dihydroxypurine, 6-Amino-1H-purine-2,8(3H,7H)-dione, 2,8-Dihydroxyadenine, 30377-37-8, 6-amino-7H-purine-2,8-diol, Dimethyloctanoic acid, EINECS 250-158-1, 6-Amino-2,8-dihydroxypurine, dimethyloctanoate, 2,8-Dioxyadenine, AC1L3NRP, 1H-Purine-2,8(3H,7H)-dione, 6-amino-, 6-amino-purine-2,8-diol, SCHEMBL524228, SCHEMBL15713240, SCHEMBL20135741, CTK4G5091, DTXSID80184453, (6R)-2,6-2,8-Dihydroxyadenine, 3172AB, ANW-53694, ZINC95617504, AKOS006273192, AKOS015998758, FCH1600919, AJ-70325, 1H-Purine-2,8(3H,7H)-dione,6-amino-, AX8218444, ST2406398, 6-amino-7,9-dihydro-1H-purine-2,8-dione, 6-amino-1,7-dihydro-2H-purine-2,8(3H)-dione, 6-amino-3,7,8,9-tetrahydro-2H-purine-2,8-dione, J-017935, C5H5N5O2, C5-H5-N5-O2, CID92268, CD-532, C002993,

Complexity	342
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.044g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	167.128g/mol
Monoisotopic Mass	167.044g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number