AG0001J4

10030-67-8 | O-α-D-Glucopyranosyl-(1→3)-β-D-fructofuranosyl α-D-glucopyranoside monohydrate

AG0001J4

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CAS Number	10030-67-8
Catalog Number	AG0001J4(AGN-PC-0OPL5U)
Chemical Name	O-α-D-Glucopyranosyl-(1→3)-β-D-fructofuranosyl α-D-glucopyranoside monohydrate
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;dihydrate
InChI	InChI=1S/C18H32O16.2H2O/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17;;/h5-17,19-29H,1-4H2;2*1H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+;;/m1../s1
InChI Key	LNVIPYYEBMNJIL-ZWELICPFSA-N
MDL Number	MFCD00149449
Molecular Formula	C18H34O17
Molecular Weight	522.4524
SMILES	O([C@@]1(CO)[C@@H](O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H](O1)CO)O)[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O.O
UNII	D12C11K0M0
Synonyms	Melezitose dihydrate, d-Melezitosedihydrate, UNII-D12C11K0M0, 10030-67-8, D-MELEZITOSE DIHYDRATE, D12C11K0M0, D(+)-Melezitose monohydrate, 99+%, Melezitose dihydrate [MI], Melezitose dihydrate, (+)-, SCHEMBL8681410, DTXSID20737563, alpha-D-Glucopyranoside, o-alpha-D-glucopyranosyl-(1->3)-beta-D-fructofuranosyl, dihydrate, o-alpha-D-Glucopyranosyl-(1->3)-beta-D-fructofuranosyl-alpha-D-glucopyranoside dihydrate, AX8126682, alpha-D-Glucopyranosyl-(1->3)-beta-D-fructofuranosyl alpha-D-glucopyranoside--water (1/2), Melezitose, dihydrate, Melezitose monohydrate, Melezitose, monohydrate, UNII-74671JEQ9L, Melezitose monohydrate, (+)-, D-Melezitose monohydrate, 99% - 5G 5g, 6147-31-5, D-Glucoside, o-alpha-D-glucopyranosyl-(1->3)-beta-D-fructofuranosyl, hydrate (1:1), .alpha.-D-Glucopyranoside, O-.alpha.-D-glucopyranosyl-(1.fwdarw.3)-.beta.-D-fructofuranosyl, dihydrate, .alpha.-D-Glucopyranoside, O-.alpha.-D-glucopyranosyl-(1.fwdarw.3)-.beta.-D-fructofuranosyl, monohydrate, .alpha.-D-Glucopyranoside, O-.alpha.-D-glucopyranosyl-(1?3)-.beta.-D-fructofuranosyl, monohydrate,

Complexity	655
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	14
Defined Bond Stereocenter Count	0
Exact Mass	540.19g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	18
Hydrogen Bond Donor Count	13
Isotope Atom Count	0
Molecular Weight	540.468g/mol
Monoisotopic Mass	540.19g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	271A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number