AG00I4OW

24386-93-4 | 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-iodo-7-b-D-ribofuranosyl-

AG00I4OW

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CAS Number	24386-93-4
Catalog Number	AG00I4OW(AGN-PC-0R06BS)
Chemical Name	7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-iodo-7-b-D-ribofuranosyl-
IUPAC Name	(2R,3R,4S,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI	InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
InChI Key	WHSIXKUPQCKWBY-IOSLPCCCSA-N
MDL Number	MFCD00055131
Molecular Formula	C11H13IN4O4
Molecular Weight	392.1498
SMILES	NC1=C2C(N([C@H]3[C@@H]([C@@H]([C@@H](CO)O3)O)O)C=C2I)=NC=N1
Synonyms	5'-iodotubericidin, 5-iodotubercidin, 5-Iodotubercidin, 24386-93-4, 5-iodotubericidin, 7-Deaza-7-iodoadenosine, 7-iodo-7-deazaadenosine, 7-iodotubercidin, (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, CHEMBL99203, CHEBI:40167, 5-iodo-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, 7H-Pyrrolo[2,3-d]pyrimidin-4-amine,5-iodo-7-b-D-ribofuranosyl-, 5-iodo-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, 7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 5-iodo-7-beta-D-ribofuranosyl-, 5ID, 2zoq, 5-Iodotubercidine, SCHEMBL319225, 4-Amino-5-iodo-7-(|A-D-ribofuranosyl)pyrrolo[2,3-d]pyrimidine, AC1L3Y83, WHSIXKUPQCKWBY-IOSLPCCCSA-N, (2S,3S,4R,5S)-2-(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, 5-Iodotubericidin, >=90%, solid, ZINC5161616, 1453AH, BDBM50375654, MFCD00055131, NSC 113939, 5-ITu, AKOS024456757, CS-0897, DB04604, QC-3023, AC-27391, HY-15424, SC-94263, AB0048259, LS-186784, LS-187457, FT-0620520, W-5053, 4-amino-5-iodo-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine, 5-Iodo-7-?-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-iodo-7-b-D-ribofuranosyl-, 4-amino-5-iodo-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine, 2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol, (2R,3R,4S,5R)-2-(4-amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, (2R,3R,4S,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol, 5'-Iodotubercidin, 5'-iodotubericidin, D00RDY, C11H13IN4O4, NSC 113939, CID97297, C11-H13-I-N4-O4, A3125, A13948, C034214,

Complexity	365
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	391.998g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	392.153g/mol
Monoisotopic Mass	391.998g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	127A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

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