AG0038EP

83465-22-9 | (1S,2S,3R,4S,5S)-5-Amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetraol

AG0038EP

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CAS Number	83465-22-9
Catalog Number	AG0038EP(AGN-PC-0UOLSC)
Chemical Name	(1S,2S,3R,4S,5S)-5-Amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetraol
EC Number	617-461-4
IUPAC Name	(1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
InChI	InChI=1S/C7H15NO5/c8-3-1-7(13,2-9)6(12)5(11)4(3)10/h3-6,9-13H,1-2,8H2/t3-,4-,5+,6-,7-/m0/s1
InChI Key	VDLOJRUTNRJDJO-ZYNSJIGGSA-N
MDL Number	MFCD07773061
Molecular Formula	C7H15NO5
Molecular Weight	193.1977
SMILES	O[C@@]1(CO)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](N)C1
Synonyms	epivaliolamine, valiolamine, Valiolamine, 83465-22-9, Valinolamine, Valiolamine hydrate, (1S,2S,3R,4S,5S)-5-Amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetraol, (1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, CHEMBL222396, 4-Amino-3,4-dideoxy-2-C-(hydroxymethyl)-D-epi-inositol hydrate, C7H15NO5, BDBM50241137, D-epi-Inositol, 4-amino-3,4-dideoxy-2-C-(hydroxymethyl)-, hydrate, AK109366, AC1L5B2J, CHEMBL9216, VDLOJRUTNRJDJO-ZYNSJIGGSA-N, ZINC5157081, BDBM50024129, FCH856530, MFCD07773061, AKOS006287538, AC-1555, API0004565, AJ-53336, AN-14791, AS-14081, BC209738, LS-84041, R779, AX8156293, FT-0641902, ST24050341, J90048, M-2359, A840578, 5-Amino-1-hydroxymethyl-cyclohexane-1,2,3,4-tetraol, I14-10649, 4-amino-3,4-dideoxy-2-c-(hydroxymethyl)-d-epi-inositol, 5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetraol, 4-amino-3,4-dideoxy-2-c-(hydroxymethyl)-d-epi-inositohydrate, 4-amino-3,4-dideoxy-2-c-(hydroxymethyl)-d-epi-inositolhydrate, (1s)-1,2|A,3|A,4|A-tetrahydroxy-5|A-aminocyclohexane-1|A-methanol, (1S,2S,3R,4S,5S)-5-Amino-1-hydroxymethylcyclohexane-1,2,3,4-tetranol, (1S,2S,3R,4S,5S)-5-azanyl-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, valiolamine (4-amino-3,4-dideoxy-2-c-(hydroxymethyl)-d-epi-inosito), D08TQA, C7H15NO5.H2O, C7-H15-N-O5.H2-O, CID174312, 4-Amino-3.4-dideoxy-2-C-(hydroxymethyl)-D-epi-inositol hydrate,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	193.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	193.199g/mol
Monoisotopic Mass	193.095g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	127A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3.3

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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