AG003753

58944-73-3 | 6,9-Diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy-D-glycero-α-L-talo-decofuranuronic acid

AG003753

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CAS Number	58944-73-3
Catalog Number	AG003753(AGN-PC-04Y4ZO)
Chemical Name	6,9-Diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy-D-glycero-α-L-talo-decofuranuronic acid
IUPAC Name	(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid
InChI	InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
InChI Key	LMXOHSDXUQEUSF-YECHIGJVSA-N
MDL Number	MFCD00057013
Molecular Formula	C15H23N7O5
Molecular Weight	381.3870
SMILES	N[C@H](C[C@@H]1[C@H]([C@H]([C@@H](O1)N1C2=NC=NC(=C2N=C1)N)O)O)CC[C@@H](C(=O)O)N
UNII	W2U467CIIL
Synonyms	A 9145, adenosylornithine, sinefungin, sinefungin, ADENOSYL-ORNITHINE, Sinefunginum, Sinefungina, Sinefungine, Antibiotic A 9145, Compound 57926, Adenosylornithine, 58944-73-3, A 9145, Antibiotic 32232 RP, Sinefungin [USAN:INN], Sinefungine [INN-French], Sinefunginum [INN-Latin], UNII-W2U467CIIL, Sinefungina [INN-Spanish], 6,9-Diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxydecofuranuronic acid, 6,9-Diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy-beta-D-ribo-decofuranuronic acid, BRN 3574678, W2U467CIIL, LY 57926, RP 32232, CHEBI:45453, Decofuranuronic acid, 6,9-diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy-, (2S,5S)-2,5-diamino-6-[(2R,3S,R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]hexanoic acid, (2S,5S)-2,5-diamino-6-((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)hexanoic acid, (5S)-5-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-L-norleucine, Antibiotic 32232RP, D-glycero-alpha-L-talo-Decofuranuronic acid, 6,9-diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy-, Decofuranuronic acid, 6,9-diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy-, (beta-D-ribo)-, SFG, 1aqj, 1qaq, C15H23N7O5, A-9145, 2h2j, Sinefungin (USAN/INN), AC1L23BV, SCHEMBL167609, CHEMBL1214186, DTXSID10207689, LMXOHSDXUQEUSF-YECHIGJVSA-N, (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid, Sinefungin, 95% (HPLC), powder, ZINC4217451, BDBM50378739, AKOS027327588, CCG-208696, DB01910, 6,9-Diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy-D-glycero-alpha-L-talo-decofuranuronic acid, CC-34430, LS-59423, D05846, BRD-K91100918-001-01-2, (2S,5S)-2,5-Diamino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuryl]hexanoic Acid, (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]hexanoic acid (non-preferred name), 5 inverted exclamation marka-Deoxy-5 inverted exclamation marka-(1,4-diamino-4-carboxybutyl)adenosine, Compd 57926, D00FLT, CID65482, C15-H23-N7-O5, C006235,

Complexity	529
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	381.176g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	381.393g/mol
Monoisotopic Mass	381.176g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	209A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-4.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number