AG00IC3K

7075-11-8 | 2(1H)-Pyrimidinone, 4-amino-1-(5-O-phosphono-b-D-arabinofuranosyl)-

AG00IC3K

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CAS Number	7075-11-8
Catalog Number	AG00IC3K(AGN-PC-0TYH0H)
Chemical Name	2(1H)-Pyrimidinone, 4-amino-1-(5-O-phosphono-b-D-arabinofuranosyl)-
IUPAC Name	[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
InChI	InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1
InChI Key	IERHLVCPSMICTF-CCXZUQQUSA-N
MDL Number	MFCD00069771
Molecular Formula	C9H14N3O8P
Molecular Weight	323.1965
SMILES	OP(OC[C@@H]1[C@@H](O)[C@H](O)[C@]([H])(N2C(N=C(N)C=C2)=O)O1)(O)=O
UNII	Y73692GHI4
Synonyms	(alpha-D-ribofuranosyl)-isomer of 1-beta-D-arabinofuranosylcytosine 5'-monophosphate, 1-beta-D-arabinofuranosylcytosine 5'-monophosphate, 1-beta-D-arabinofuranosylcytosine 5'-monophosphate, (beta-D-lyxofuranosyl)-isomer, 1-beta-D-arabinofuranosylcytosine 5'-monophosphate, (D-arabinofuranosyl)-isomer, ara 5'-CMP, arabinosylcytosine 5'-monophosphate, cytarabine 5'-monophosphate, cytosine arabinoside 5'-monophosphate, 7075-11-8, Ara-5'-CMP, Ara-CMP, Cytarabine 5'-monophosphate, ((2R,3S,4S,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate, CYTOSINE ARABINOSE-5'-PHOSPHATE, AraCMP, Cytosine arabinoside monophosphate, Aracytidine 5'-phosphate, Cytosine arabinoside 5'MP, Aracytidine 5'-monophosphate, UNII-Y73692GHI4, Y73692GHI4, MFCD00069771, NSC 99445, 1-beta-D-Arabinofuranosylcytosine 5'-phosphate, Cytosine beta-D-arabinofuranoside 5'-monophosphate, Cytosine-beta-D-arabinofuranoside-5'-monophosphate, CAR, Cytosine arabinoside 5'-phosphate, Ara 5'-cmp, cytidin-5'-monophosphat, AC1L22QY, CHEMBL596186, SCHEMBL11217191, BDBM31913, DTXSID60221012, Arabinosylcytosine 5'-monophosphate, ZINC1785780, GE8537, Cytosine arabinoside 5'-monophosphate, AKOS015899632, DB02456, AK163068, AX8114618, ST24033369, Cytosine b-D-arabinofuranoside 5'-monophosphate, 1-?-D-Arabinofuranosylcytosine 5'-monophosphate, 1-beta-D-arabinofuranosylcytosine 5-monophosphate, 075C118, 1-|A-D-Arabinofuranosylcytosine 5'-Monophosphate, 1-beta-D-Arabinofuranosylcytosine 5'-monophosphate, C-53074, I14-11182, Cytosine-|A-D-arabinofuranoside-5'-monophosphoric Acid, 1beta-Arabino-furanosylcytosine-5'-monophosphoric acid, D-, Cytosine beta-D-arabinofuranoside 5'-monophosphate, >=99%, 2(1H)-Pyrimidinone, 4-amino-1-(5-O-phosphono-b-D-arabinofuranosyl)-, 2(1H)-Pyrimidinone, 4-amino-1-(5-O-phosphono-beta-D-arabinofuranosyl)-, 4-Amino-1-(5-O-phosphono-|A-D-arabinofuranosyl)-2(1H)-pyrimidinone, 4-amino-1-(5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one, Cytosine, 1-beta-D-arabinofuranosyl-, 5'-(dihydrogen phosphate) (8CI), [(2R,3S,4S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate, [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate, Phosphoric acid mono-[(2R,3S,4S,5R)-5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester, cytidylic acid, cytarabine, Cytarabine 5/'-phosphate, D03SAZ, CID65177, NSC99445,

Complexity	531
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	323.052g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	323.198g/mol
Monoisotopic Mass	323.052g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	175A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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