AG009ELU

121288-39-9 | 7-ALLYL-7 8-DIHYDRO-8-OXOGUANOSINE 95

AG009ELU

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CAS Number	121288-39-9
Catalog Number	AG009ELU(AGN-PC-0O0AZ6)
Chemical Name	7-ALLYL-7 8-DIHYDRO-8-OXOGUANOSINE 95
IUPAC Name	2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enyl-1H-purine-6,8-dione
InChI	InChI=1S/C13H17N5O6/c1-2-3-17-6-9(15-12(14)16-10(6)22)18(13(17)23)11-8(21)7(20)5(4-19)24-11/h2,5,7-8,11,19-21H,1,3-4H2,(H3,14,15,16,22)/t5-,7-,8-,11-/m1/s1
InChI Key	VDCRFBBZFHHYGT-IOSLPCCCSA-N
MDL Number	MFCD00867591
Molecular Formula	C13H17N5O6
Molecular Weight	339.3040
SMILES	OC[C@@H]1[C@H]([C@H]([C@H](N2C(N(CC=C)C3=C2N=C(N)NC3=O)=O)O1)O)O
UNII	9CAS0V66OI
Synonyms	7-allyl-8-oxoguanosine, 7a8oGuo, loxoribine, RWJ 21757, RWJ-21757, LOXORIBINE, 7-allyl-8-oxoguanosine, 121288-39-9, RWJ 21757, RWJ-21757, 7-Allyl-7,8-dihydro-8-oxoguanosine, UNII-9CAS0V66OI, 9CAS0V66OI, DSSTox_CID_26748, DSSTox_RID_81873, DSSTox_GSID_46748, Guanosine, 7,8-dihydro-8-oxo-7-(2-propenyl)-, Loxoribina, Loxoribinum, 2-Azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(Hydroxymethyl)-3,4-Bis(Oxidanyl)oxolan-2-Yl]-7-Prop-2-Enyl-1~{h}-Purine-6,8-Dione, CAS-121288-39-9, 7A8OGua, Loxoribine [USAN:INN], Loxoribinum [INN-Latin], Loxoribina [INN-Spanish], 7-Allyl-78-dihydro-8-oxoguanosine, (Loxoribine)", NCGC00167840-01, AC1L1TTN, AC1Q6MTX, 7-Allyl-2-amino-9-beta-D-ribofuranosylpurine-6,8(1H,9H)-dione, Loxoribine (USAN/INN), SCHEMBL61782, CHEMBL292008, GTPL5018, DTXSID3046748, SCHEMBL16516342, VDCRFBBZFHHYGT-IOSLPCCCSA-N, HMS3677D12, ZINC4674533, Tox21_112592, GN8466, 7-allyl-7,8-dihydro-8-oxo-guanosine, AKOS024284397, Tox21_112592_1, NCGC00263547-01, ST075699, 7-Allyl-7,8-dihydro-8-oxoguanosine, 95%, 7,8-Dihydro-8-oxo-7-(2-propenyl)guanosine, D04787, SR-01000883708, SR-01000883708-1, 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(prop-2-en-1-yl)-6,7,8,9-tetrahydro-3H-purine-6,8-dione, 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enyl-3H-purine-6,8-dione, 7-allyl-2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1H-purine-6,8(7H,9H)-dione, 7-allyl-2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purine-6,8(7H,9H)-dione, 9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-amino-7-prop-2- enyl-1,7-dihydropurine-6,8-dione, SDL, 7a8oGuo, Loxoribine < Rec INN, D04EIF, C13H17N5O6, CID60737, 7-Allyl-8-oxo-7,8-dihydroguanosine, C13-H17-N5-O6, 7-(2-Propenyl)-8-oxo-7,8-dihydroguanosine, C068562, AOG,

Complexity	661
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	339.118g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	339.308g/mol
Monoisotopic Mass	339.118g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	161A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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