AG00EBC4

57100-18-2 | Pseudoisocytidine

AG00EBC4

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CAS Number	57100-18-2
Catalog Number	AG00EBC4(AGN-PC-0SN08J)
Chemical Name	Pseudoisocytidine
IUPAC Name	2-amino-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-6-one
InChI	InChI=1S/C9H13N3O5/c10-9-11-1-3(8(16)12-9)7-6(15)5(14)4(2-13)17-7/h1,4-7,13-15H,2H2,(H3,10,11,12,16)/t4-,5-,6-,7+/m1/s1
InChI Key	MPDKOGQMQLSNOF-GBNDHIKLSA-N
MDL Number	MFCD04117882
Molecular Formula	C9H13N3O5
Molecular Weight	243.2166
SMILES	[C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)C2=CN=C(NC2=O)N
UNII	TDH73L8XQD
Synonyms	5-(beta-D-ribofuranosyl)isocytosine, pseudoisocytidine, pseudoisocytidine monohydrochloride, psi-isocytidine, Pseudoisocytidine, 57100-18-2, UNII-TDH73L8XQD, TDH73L8XQD, psi-Isocytidine, 2-amino-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-pyrimidin-4-one, 5-(beta-D-Ribofuranosyl)isocytosine, NSC279852, AC1L3YAJ, 59464-15-2, (1s)-1-(2-amino-6-oxo-1,6-dihydropyrimidin-5-yl)-1,4-anhydro-d-ribitol, SCHEMBL713634, AC1Q69C5, DTXSID20205717, ZINC8098573, MFCD04117882, AKOS015919923, AKOS025396670, AJ-57317, AK-20001, BR-20001, AX8149429, 4CH-007649, FT-0694693, W7064, S-3708, 4(1H)-Pyrimidinone,2-amino-5-b-D-ribofuranosyl-, 4(1H)-Pyrimidinone, 2-amino-5-beta-D-ribofuranosyl-, 4-(1H)-Pyrimidinone, 2-amino-5-.beta.-D-ribofuranosyl-, 2-amino-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-4-one, 2-amino-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-6-one, 2-amino-5-((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-4(3H)-one, 2-amino-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydropyrimidin-4-one, C9H13N3O5, KST-1A6263, AR-1A1366, CID124345, 4(1H)-Pyrimidinone, 2-amino-5-.beta.-D-ribofuranosyl-, 58764-34-4,

Complexity	394
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	243.086g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	243.219g/mol
Monoisotopic Mass	243.086g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	137A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H402
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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