AG003P7R

2009-64-5 | 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-4(3H)-Pteridinone

AG003P7R

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CAS Number	2009-64-5
Catalog Number	AG003P7R(AGN-PC-0O72D9)
Chemical Name	2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-4(3H)-Pteridinone
EC Number	217-924-7
IUPAC Name	2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-3H-pteridin-4-one
InChI	InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1
InChI Key	BMQYVXCPAOLZOK-XINAWCOVSA-N
MDL Number	MFCD00042801
Molecular Formula	C9H11N5O4
Molecular Weight	253.2147
SMILES	O=c1c2c([nH]cc(n2)[C@@H]([C@@H](CO)O)O)nc(n1)N
UNII	9PLD60N7SO
Synonyms	2-Amino-6-(1,2,3-trihydroxypropyl)-4(3H)-pteridinone, Monapterin, Neopterin, Neopterin, (erythro-D)-Isomer, Neopterin, (erythro-L)-Isomer, Neopterin, (R*, R*)-Isomer, Neopterin, (threo-D)-Isomer, Neopterin, (threo-L)-Isomer, Umanopterin, D-(+)-Neopterin, neopterin, D-Neopterin, L-Neopterin, 6-D-erythro-Neopterin, D-erythro-Neopterin, 2009-64-5, UNII-9PLD60N7SO, 9PLD60N7SO, L-Erythro-neopterin, (D)-(+)-Neopterin, (1S,2R)-1-(2-amino-4-hydroxypteridin-6-yl)propane-1,2,3-triol, 6-(D-erythro-1,2,3-Trihydroxypropyl)pterin, 2-Amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)pteridine, 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pteridin-4-one, [S-(R*,S*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one, 2-Amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-4(3H)-pteridinone, Neopterin D-erythro-form, 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]pteridin-4(3H)-one, (S-(R*,S*))-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one, 2-AMINO-6-((1S,2R)-1,2,3-TRIHYDROXYPROPYL)PTERIDIN-4(3H)-ONE, (+)-Neopterin, EINECS 217-924-7, 1,2,3-Proanetriol, AC1L9MEO, AC1Q52ZJ, SCHEMBL59519, [S-(R*,S*)]-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-on, [S-(R*,S*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridine-4-one, CTK8F1470, BMQYVXCPAOLZOK-XINAWCOVSA-N, ZINC12428336, AKOS024285557, AKOS024458275, CS-W020795, HY-W040055, SMP1_000327, ST085512, (D-erythro-1,2,3-trihydroxypropyl)-pterin, FT-0672682, C05926, D-(+)-Neopterin, >=97.5% (sum of enantiomers, HPLC), 2-Amino-6-((1S,2R)-1,2,3-trihydroxypropyl-4(8H)-pteridone, 2-Amino-6-((1S,2R)-1,2,3-trihydroxypropyl)-4(8H)-pteridone, 4(3H)-Pteridinone, 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-, 4(8H)-pteridinone, 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-, 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-3,4-dihydropteridin-4-one, L-(-)-Neopterin, Neopterin, L-erythro-, Neopterin, L-(-)-, Neopterin L-erythro-form [MI], C9H11N5O4, UNII-22U763I668, C9-H11-N5-O4, CID448839, -2-Amino-6-[ -1,2,3-trihydroxypropyl]pteridine-4 -one, 2277-43-2, 2-Amino-7,8-dihydro-6-(1,2,3-trihydroxypropyl)-4(1H)-pteridinone, 4(1H)-Pteridinone, 2-amino-6-((1R,2S)-1,2,3-trihydroxypropyl)-, NEU, NPR,

Complexity	363
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	253.081g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	253.218g/mol
Monoisotopic Mass	253.081g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	154A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3.5

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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