AG003R7X

10605-09-1 | (2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl]-2-hydroxyethyl octadecanoate

AG003R7X

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CAS Number	10605-09-1
Catalog Number	AG003R7X(AGN-PC-0OVIAN)
Chemical Name	(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl]-2-hydroxyethyl octadecanoate
IUPAC Name	[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] octadecanoate
InChI	InChI=1S/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,23,25,27-28H,2-18H2,1H3/t19-,23+/m0/s1
InChI Key	LITUBCVUXPBCGA-WMZHIEFXSA-N
MDL Number	MFCD00059739
Molecular Formula	C24H42O7
Molecular Weight	442.5861
SMILES	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
UNII	7Z1QT341US
Synonyms	ascorbic acid stearate, ascorbyl monostearate, ascorbyl stearate, ascorbylmonostearate, L-Ascorbyl 6-Stearate, 10605-09-1, L-Ascorbic acid 6-stearate, Ascorbyl stearate, 25395-66-8, UNII-7Z1QT341US, (S)-2-((R)-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl stearate, 7Z1QT341US, 6-O-Stearoyl-L-ascorbic Acid, EINECS 234-231-5, L-Ascorbic acid, 6-octadecanoate (9CI), L-Ascorbyl-6-stearate, Ascorbyl monooctadecanoate, L-Stearoyl-6-ascorbic Acid, SCHEMBL16202, CHEMBL218804, Jsp005039, CHEBI:138822, MFCD00059739, AKOS022172048, ZINC100044734, E305, O450, AX8135917, A0617, FT-0607354, FT-0657754, C20340, 395A668, W-107239, L-Ascorbic acid 6-stearate, analytical reference material, 3,4-Dihydroxy-5beta-[(S)-2-(octadecanoyloxy)-1-hydroxyethyl]furan-2(5H)-one, Ascorbyl 6-stearate, 6-O-Stearylascorbic acid, L-Ascorbyl stearate, Vitamin C monostearate, L-Ascorbic acid monostearate, Ascorbyl monostearate, L-, L-Ascorbic acid, 6-octadecanoate, L-Ascorbic acid, monostearate, (Stearoyloxy)-L-ascorbic acid, 6-(Stearoyloxy)-L-ascorbic acid, Ascorbyl monooctadecanoate, L-, C24H42O7, (stearoyloxy)- L- ascorbic acid, L-Ascorbic acid, monooctadecanoate, EINECS 246-944-9, L-ASCORBIC ACID, 6-STEARATE, C24-H42-O7, E304,

Complexity	544
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	442.293g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	442.593g/mol
Monoisotopic Mass	442.293g/mol
Rotatable Bond Count	20
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.3

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

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