AG003OPW

79831-76-8 | (1S,6S,7R,8R,8aR)-octahydroindolizine-1,6,7,8-tetrol

AG003OPW

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CAS Number	79831-76-8
Catalog Number	AG003OPW(AGN-PC-0OIAO1)
Chemical Name	(1S,6S,7R,8R,8aR)-octahydroindolizine-1,6,7,8-tetrol
IUPAC Name	(1S,6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
InChI	InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1
InChI Key	JDVVGAQPNNXQDW-TVNFTVLESA-N
MDL Number	MFCD00017555
Molecular Formula	C8H15NO4
Molecular Weight	189.2090
SMILES	O[C@@H]1[C@@H](O)[C@H](O)[C@]([C@@H](O)CC2)([H])N2C1
UNII	Q0I3184XM7
Synonyms	1,6,7,8-tetrahydroxyoctahydroindolizine, 1-epicastanospermine, 6,7-diepicastanospermine, 6-epicastanospermine, castanospermine, castinospermine, castanospermine, 79831-76-8, Castinospermine, 1,6,7,8-Tetrahydroxyoctahydroindolizine, (1S,6S,7R,8R,8aR)-1,6,7,8-Tetrahydroxyindolizidine, 6-Epicastanospermine, UNII-Q0I3184XM7, 6,7-Diepicastanospermine, MFCD00017555, NSC 625381, CHEBI:27860, Q0I3184XM7, Castanospermine, Castanospermum australe, (1S,6S,7R,8R,8aR)-octahydroindolizine-1,6,7,8-tetrol, (1S,6S,7R,8aR)-Tetrahydroxyoctahydroindolizine, (1S,6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol, (1S-(1alpha,6beta,7alpha,8beta,8alphabeta))-octahydro-1,6,7,8-indolizinetetrol, CTS, SR-01000597675, (1S,6S,7R,8R,8aR)-Octahydro-1,6,7,8-indolizinetetrol, Indolizine der., NSC625381, 2cbu, Octahydro-indolizine-1,6,7,8-tetraol, CID54445, 1-epicastanospermine, CAST, (+)-Castanospermine, MolMap_000013, UPCMLD-DP122, SCHEMBL61040, BSPBio_001552, KBioGR_000272, KBioSS_000272, MLS000028641, AC1L1H19, AC1Q59T8, CHEMBL311226, UPCMLD-DP122:001, UPCMLD-DP122:002, UPCMLD-DP122:003, BCBcMAP01_000133, BDBM36388, CTK8F8488, KBio2_000272, KBio2_002840, KBio2_005408, KBio3_000543, KBio3_000544, BIC0126, JDVVGAQPNNXQDW-TVNFTVLESA-N, ZX-AFC000445, Bio1_000396, Bio1_000885, Bio1_001374, Bio2_000272, Bio2_000752, HMS1361N14, HMS1791N14, HMS1989N14, HMS2232G11, HMS3266B08, HMS3402N14, HMS3678H05, HY-N2022, ZINC3775177, AKOS024458634, CCG-208170, CS-5633, DB01816, FCH3937985, IDI1_034022, SMP1_000059, NCGC00024773-02, NCGC00024773-04, LS-83622, SC-66601, SMR000059227, B6439, Octahydro-indolizine-1,6,7,8-tetraol, 13, C02256, SR-01000597675-1, SR-01000597675-4, W-203822, (1S,6S,7R,8R,8aR)-octahydroindolizine-1,6,7,8-tetraol, 81041B9A-D148-44DC-A86D-C78D6ABF9633, (1S,6S,7R,8R,8aR)-1,6,7,8-Tetrahydroxyindolizidine, 98%, (1S,6S,7R,8R,8aR)-1,6,7,8-Tetrahydroxyoctahydroindolizidine, [1S-(1?,6?,7?,8?,8a?)]-Octahydro-1,6,7,8-indolizinetetrol, Castanospermine, >=94% (GC), BioUltra, from Castanospermum australe seeds, 1,6,7,8-Indolizinetetrol, octahydro-, (1S-(1-alpha,6-beta,7-alpha,8-beta,8a-beta))-, 1,6,7,8-Indolizinetetrol, octahydro-, (1S-(1alpha,6beta,7alpha,8beta,8abeta))-, 1,6,7,8-Indolizinetetrol, octahydro-, (1S-(1alpha,6beta,7alpha,8beta,8alphabeta))-, D09NYB, C8H15NO4, DCG04, C8-H15-N-O4, MDL-26190, ACN-035820, V0148, (1S,6S,7R,8R,8aR)-1,6,7,8-Tetrahydroxyoctahydroindolizine, 1,6,7,8-Indolizinetetrol, octahydro-, (1S,6S,7R,8R,8aR)-, CAS,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	189.1g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	189.211g/mol
Monoisotopic Mass	189.1g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	84.2A^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-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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