AG005PPU

6779-87-9 | 1-(2-Amino-4-hydroxy-7,8-dihydropteridin-7-yl)propane-1,2-diol

AG005PPU

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CAS Number	6779-87-9
Catalog Number	AG005PPU(AGN-PC-0TQ5Z4)
Chemical Name	1-(2-Amino-4-hydroxy-7,8-dihydropteridin-7-yl)propane-1,2-diol
IUPAC Name	2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-3H-pteridin-4-one
InChI	InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1
InChI Key	FEMXZDUTFRTWPE-DZSWIPIPSA-N
MDL Number	MFCD07375453
Molecular Formula	C9H13N5O3
Molecular Weight	239.2312
SMILES	O=C1C2=C(NCC([C@H]([C@H](C)O)O)=N2)NC(N)=N1
Synonyms	7,8-dihydrobiopterin, dihydrobiopterin, L-erythro-dihydrobiopterin, L-erythro-q-dihydrobiopterin, q-BH2, quinonoid dihydrobiopterin, 7,8-dihydrobiopterin, Quinonoid dihydrobiopterin, q-BH2, L-erythro-q-dihydrobiopterin, dihydrobiopterin, L-erythro-7,8-Dihydrobiopterin, L-erythro-dihydrobiopterin, 7,8-Dihydro-L-biopterin, 6779-87-9, 2-amino-6-((1r,2s)-1,2-dihydroxypropyl)-7,8-dihydro-4(1h)-pteridinone, 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydropteridin-4(3H)-one, 2toh, 4(1H)-Pteridinone, 2-amino-6-((1R,2S)-1,2-dihydroxypropyl)-7,8-dihydro-, 4(1H)-Pteridinone, 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-, (S-(R*,S*))-, 4(1H)-Pteridinone, 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-, [S-(R*,S*)]-, 4(1H)-pteridinone, 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-, AC1L3O4N, AC1Q6CX6, CHEBI:43029, CTK8D6639, ZINC18181336, CS-W009362, DB04400, HY-W008646, FT-0636256, C02953, 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-1H-pteridin-4-one, 1,2-Propanediol, 1-(2-amino-7,8-dihydro-4-hydroxy-6-pteridinyl)-, L-erythro-, C9H13N5O3, AR-1D8539, C9-H13-N5-O3, CID119055, C017226, CARBAMIC ACID, DIMETHYLAMINOMETHYL-, ETHYL ESTER, 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, 2-Amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-4(3H)-pteridinone, 68391-42-4, H2B, HBI, HBL,

Complexity	454
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	239.102g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	239.235g/mol
Monoisotopic Mass	239.102g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	132A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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