AG019FWH

606-58-6 | 4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

AG019FWH

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CAS Number	606-58-6
Catalog Number	AG019FWH(AGN-PC-0SX3AM)
Chemical Name	4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
IUPAC Name	4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
InChI	InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
InChI Key	XOKJUSAYZUAMGJ-WOUKDFQISA-N
MDL Number	MFCD00866513
Molecular Formula	C12H13N5O4
Molecular Weight	291.2627
SMILES	O[C@H]1[C@H](N2C=C(C#N)C3=C(N)N=CN=C32)O[C@H](CO)[C@H]1O
UNII	L7995C4D7F
Synonyms	Deazacyanoadenosine, Toyocamycin, Toyokamycin, TOYOCAMYCIN, Vengicide, Siromycin, Cyanotubericidin, 7-Deaza-7-cyanoadenosine, Ahygroscopin-B, Uramycin B, Antibiotic E212, Unamycin B, Unamycin-B, Antibiotic A-399-Y4, Antibiotic 1037, 606-58-6, Naritheracin, NSC 63701, NSC 99843, UNII-L7995C4D7F, A-399-Y4, E-212, Toyocamycin nucleoside, BRN 0048454, CHEMBL99668, 4-Amino-5-cyano-7-(D-ribofuranosyl)-7H-pyrrolo(2,3-d)pyrimidine, C12H13N5O4, L7995C4D7F, E-212-1, 4-Amino-5-cyano-7-(beta-d-ribofuranosyl)pyrrolo[2,3-d]pyrimidine, NSC-63701, 4-Amino-7-beta-D-ribofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile, Toyokamycin, 4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, B 181008, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-Amino-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 7H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-amino-7-beta-D-ribofuranosyl-, 4-Amino-7-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, toyocamicin, Ara-toyocamycine, Deazacyanoadenosine, 3re4, AC1L1Y7U, Neuro 000027, 4-26-00-01419 (Beilstein Handbook Reference), SCHEMBL336095, cid_247955, CHEBI:134606, XOKJUSAYZUAMGJ-WOUKDFQISA-N, ZINC4217594, BDBM50049823, API0015849, CC-17841, LS-139547, FT-0773001, C-33102, Toyocamycin, >=98% (HPLC), from Streptomyces rimosus, 4-Aminopyrrolo[2,3-d]pyrimidine-5-carbonitrile 7-(beta-D-ribofuranoside), 7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile,4-amino-7-b-D-ribofuranosyl-, {7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile,} 4-amino-7-.beta.-D-ribofuranosyl-, 4-amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-Amino-7-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile(toyocamycin), 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile, TO1, Antibiotic E 212, CID11824, NSC63701, C12-H13-N5-O4, 4-AMINO-5-CYANO-7- PYRROLO[2,3-D]PYRIMIDINE, 4-amino-5-cyano-7-(D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine, 7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-7-.beta.-D-ribofuranosyl-,

Complexity	443
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	291.097g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	291.267g/mol
Monoisotopic Mass	291.097g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	150A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.6

GHS Hazard and Precautionary Statements

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

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