AG009A8E

128596-80-5 | 3'-N-ACETYLNEURAMIN-LACTOSE SODIUM SALT

AG009A8E

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CAS Number	128596-80-5
Catalog Number	AG009A8E(AGN-PC-0PIT6A)
Chemical Name	3'-N-ACETYLNEURAMIN-LACTOSE SODIUM SALT
IUPAC Name	sodium;(2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
InChI	InChI=1S/C23H39NO19.Na/c1-7(29)24-13-8(30)2-23(22(38)39,42-19(13)15(35)10(32)4-26)43-20-16(36)12(6-28)40-21(17(20)37)41-18(11(33)5-27)14(34)9(31)3-25;/h3,8-21,26-28,30-37H,2,4-6H2,1H3,(H,24,29)(H,38,39);/q;+1/p-1/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20-,21-,23-;/m0./s1
InChI Key	LTWFUJWFLMHANB-TZCPRLTCSA-M
MDL Number	MFCD00166999
Molecular Formula	C23H38NNaO19
Molecular Weight	655.5329
SMILES	O[C@@H]1[C@H](O[C@@]2(C([O-])=O)O[C@]([C@H](O)[C@H](O)CO)([H])C(NC(C)=O)[C@@H](O)C2)[C@@H](O)[C@H](O[C@@]([C@H](O)CO)([H])[C@H](O)[C@@H](O)C([H])=O)O[C@@H]1CO.[Na+]
UNII	6B0IF0U3U5
Synonyms	UNII-6B0IF0U3U5, 6B0IF0U3U5, 3'-Sialyllactose Sodium Salt, 128596-80-5, 3 inverted exclamation marka-SL, MFCD00166999, 3 inverted exclamation marka-Sialyllactose, 3 inverted exclamation marka-Sialyl-D-lactose, J-005612, 3 inverted exclamation marka-N-Acetylneuraminyl-D-lactose sodium salt, D-Glucose, O-(N-acetyl-alpha-neuraminosyl)-(2->3)-o-beta-D-galactopyranosyl-(1->4)-, monosodium salt, O-(N-Acetyl-alpha-neuraminosyl)-(2->3)-o-beta-D-galactopyranosyl-(1->4)-D-glucose, monosodium salt, NANA-Lactose, 3'-Sialyllactose, |A-NeuNAc-(2 inverted exclamation marku3)-|A-D-Gal-(1 inverted exclamation marku4)-D-Glc, 35890-38-1,

Complexity	934
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	15
Defined Bond Stereocenter Count	0
Exact Mass	655.194g/mol
Formal Charge	0
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	19
Hydrogen Bond Donor Count	12
Isotope Atom Count	0
Molecular Weight	655.535g/mol
Monoisotopic Mass	655.194g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	346A^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