AG00HFV3

121032-29-9 | (2R,3S,4S,5R)-2-(2-amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

AG00HFV3

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CAS Number	121032-29-9
Catalog Number	AG00HFV3(AGN-PC-0PFEON)
Chemical Name	(2R,3S,4S,5R)-2-(2-amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
IUPAC Name	(2R,3S,4S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI	InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1
InChI Key	IXOXBSCIXZEQEQ-UHTZMRCNSA-N
MDL Number	MFCD00871078
Molecular Formula	C11H15N5O5
Molecular Weight	297.2673
NSC Number	755985
SMILES	O[C@@H]1[C@H](n2c3c(nc2)c(OC)nc(n3)N)O[C@@H]([C@H]1O)CO
UNII	60158CV180
Synonyms	2-amino-6-methoxypurine arabinoside, 2-amino-9-beta-D-arabinofuranosyl-6-methoxy-9H-purine, 506U78, Arranon, compound 506U78, GW506U78, nelarabine, Nelarabine, Nelzarabine, 121032-29-9, Arranon, Atriance, 506U78, GW 506U78, GW-506U78, Nelarabine (Arranon), 506U, UNII-60158CV180, 2-Amino-9-beta-D-arabinofuranosyl-6-methoxy-9H-purine, NSC-686673, CHEBI:63612, Nelzarabine (USAN), NCGC00181098-01, 60158CV180, S1213, (2R,3S,4S,5R)-2-(2-amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, (2R,3S,4S,5R)-2-(2-Amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, DSSTox_CID_26842, DSSTox_RID_81952, DSSTox_GSID_46842, MAY, ArranonG, 9beta-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine, 9-beta-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine, GW506U78, 6-O-Methyl Guanosine, SMR002544682, Arranon (TN), CAS-121032-29-9, 7803-88-5, U78, Arranon (GlaxoSmithKline), Nelarabine [USAN:INN:BAN], Arranon/, GW-506U, AK-25325, NSC 686673, AC1MHTJS, 9H-Purin-2-amine, 9beta-D-arabinofuranosyl-6-methyl-, SCHEMBL18820, MLS003915614, MLS004774135, MLS006010906, Nelarabine (JAN/USAN/INN), GTPL7090, CHEMBL1201112, DTXSID6046842, IXOXBSCIXZEQEQ-UHTZMRCNSA-N, BCPP000392, HMS3715I16, (2R,3R,4S,5R)-2-(2-amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol, ZINC3823492, Tox21_112714, ABP000601, CN0033, MFCD00871078, NSC755985, 2-(2-Amino-6-methoxy-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol, AKOS015852325, AKOS015920191, Tox21_112714_1, BCP9000318, CS-1607, DB01280, NSC-755985, SB19492, (2R,3S,4S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, NCGC00274059-01, AJ-45735, AS-47664, BR-25325, HY-13701, SC-28312, AX8031634, ST2419746, FT-0650169, FT-0671804, SW218086-2, D05134, J10096, S-7406, AB01274773-01, AB01274773_02, 032N299, A804639, C-58277, SR-01000931847, 9-?-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine, SR-01000931847-3, 2-Amino-6-methoxy-9-b-D-arabinofuranosyl-9 H-purine, 2-Amino-6-methoxy-9-b-D-arabinofuranosyl-9H-purine, BRD-K84466663-001-01-3, 2-Amino-6-methoxy-9-beta-D-arabinofuranosyl-9H-purine, 9-(beta-D-arabinofuranosyl)-6-methoxy-9H-purin-2-amine, 9-beta -D-arabinofuranosyl-2-amino-6-methoxy-9H-purine, 9-beta-D-arabinofuranosyl-2-amino-6-methoxy-9 H-purine, 2-Amino-6-methoxy-9-(beta-D-arabinofuranosyl)-9H-purine, (2R,3S,4S,5R)-2-(2-amino-6-methoxy-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol, (2R,3S,4S,5R)-2-(2-amino-6-methoxy-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, (2R,3S,4S,5R)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(2-imino-6-methoxy-3,9-dihydro-2H-purin-9-yl)oxolane-3,4-diol, Arranon|||Nelzarabine|||GW-506U78|||(2R,3S,4S,5R)-2-(2-Amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, O-Methylguanosine, Nelarabine [USAN], Atriance (TN), Nelarabine (INN), 6'-O-Methylguanosine, Arranon, Nelarabine, O-Methoxydeoxyguanosine, Nelzarabine [USAN], compound 506U78, Nelarabine (JAN/USAN), D0B8UJ, cc-156, 2-Amino-6-methoxypurine arabinoside, C11H15N5O5, NSC 66381, C11-H15-N5-O5, ACN-039756, CID3011155, BRN 0703603, A1379, A10632, C104457, 2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, (2R,3R,4S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, (3S,4S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, 62851-42-7,

Complexity	377
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	297.107g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	297.271g/mol
Monoisotopic Mass	297.107g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	149A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number