AG001DM6

146-77-0 | Adenosine, 2-chloro-

AG001DM6

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CAS Number	146-77-0
Catalog Number	AG001DM6(AGN-PC-0O3DAJ)
Chemical Name	Adenosine, 2-chloro-
EC Number	205-678-3
IUPAC Name	(2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI	InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
InChI Key	BIXYYZIIJIXVFW-UUOKFMHZSA-N
MDL Number	MFCD00149351
Molecular Formula	C10H12ClN5O4
Molecular Weight	301.6864
SMILES	OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C2N=C(Cl)N=C3N)O1)O)O
UNII	7W7ZUG45G8
Synonyms	2 Chloroadenosine, 2-Chloroadenosine, 2-Chloroadenosine, 146-77-0, 6-Amino-2-chloropurine riboside, Cl-Ado, CADO, ADENOSINE, 2-CHLORO-, 2-Chloroadenosinehemihydrate, UNII-7W7ZUG45G8, 2-Chloro Adenosine, (2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, EINECS 205-678-3, NSC 36896, 2 ClAdo, BRN 0043957, MLS000028365, 7W7ZUG45G8, CHEMBL285819, 2-CADO, BIXYYZIIJIXVFW-UUOKFMHZSA-N, MFCD00005734, SMR000058612, 2 Chloroadenosine, (2R,3R,4S,5R)-2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, (2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, 5-Chloroformycin A, 2Cl-Ado, 2-Chloroado, 2-CI Adenosine, 2-chloro-adenosine, AK-49403, 2-chloro[3h]adenosine, PubChem14159, Opera_ID_460, AC1L1S1S, REGID_for_CID_8974, 2-Cl-Ado / 2-CADO, GTPL372, 103090-47-7, 4-26-00-03725 (Beilstein Handbook Reference), KSC177Q0T, MLS001424176, MLS002153284, SCHEMBL104094, Jsp002712, 2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol, CTK0H7809, CHEBI:125640, HMS2051B22, HMS2235K11, KS-00000NB1, ZINC3875976, ANW-47074, BDBM50009525, PDSP1_000569, PDSP1_000999, PDSP1_001209, PDSP2_000567, PDSP2_000983, PDSP2_001193, AKOS015896917, AKOS015995296, AM83941, CCG-101063, CS-W008344, NC00313, RL01849, RTX-011768, NCGC00021540-03, NCGC00021540-04, NCGC00021540-05, NCGC00021540-06, AJ-46476, AN-14534, AS-12085, BR-49403, CC-10171, CJ-11031, CPD000058612, LS-15106, SAM001246886, 2-Chloro-9-(beta-D-ribofuranosyl)adenine, AB0066073, AB1007209, AX8008046, DB-005234, ST2409923, TL8001029, FT-0601308, FT-0689532, M-1270, 146C770, C-18836, (2R,3R,4S,5R)-2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol, 2-[6-Amino-2-(2-cyclopentyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol, Chloroadenosine, Cl AS, C10H12ClN5O4, D0C2UJ, cc-303, CID8974, C10-H12-Cl-N5-O4, 2-Chloroadenosine, 99% - 1G 1g, ACN-050088, D015762, (2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, 81012-94-4,

Complexity	367
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	301.058g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	301.687g/mol
Monoisotopic Mass	301.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	140A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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