AG007NVB

25253-46-7 | 1,2:3,4-Di-O-isopropylidene-a-D-galacturonide

AG007NVB

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CAS Number	25253-46-7
Catalog Number	AG007NVB(AGN-PC-0R0ZGX)
Chemical Name	1,2:3,4-Di-O-isopropylidene-a-D-galacturonide
IUPAC Name	(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylic acid
InChI	InChI=1S/C12H18O7/c1-11(2)16-5-6(17-11)8-10(15-7(5)9(13)14)19-12(3,4)18-8/h5-8,10H,1-4H3,(H,13,14)/t5-,6+,7+,8-,10-/m1/s1
InChI Key	HDDAMQVWECBJLO-WASRKXDBSA-N
MDL Number	MFCD06657642
Molecular Formula	C12H18O7
Molecular Weight	274.2671
SMILES	O=C(O)[C@@H](O1)[C@H](O2)[C@H](OC2(C)C)[C@@H](O3)[C@H]1OC3(C)C
Synonyms	25253-46-7, 1,2:3,4-Di-O-isopropylidene-a-D-galacturonide, 1,2,3,4-DI-O-ISOPROPYLIDENE-ALPHA-D-GALACTURONIC ACID, AC1LWZ2A, CTK8F2868, DTXSID40365160, (3AR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxylic acid, ZINC2133939, DIACETONE-D-GALACTURONIC ACID, STK891237, AKOS005609232, MCULE-1697106794, NCGC00340703-01, K-6650, AB01333054-02, SR-01000005316, SR-01000005316-1, W-202064, Z1815149232, 1,2:3,4-Di-O-isopropylidene-alpha-D-galactopyranuronic acid, 1,2:3,4-di-O-isopropylidene-alpha-D-galactopyranosiduronic acid, (1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-8-carboxylic acid, (3aR,5S,5aR,8aS,8bR)-2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxylic acid (non-preferred name), (3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxylic acid, (3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxylic acid (non-preferred name), CID1789081, BAS 00927977, 1,2,3,4-DI-O-ISOPROPYLIDENE-ALPHA-D-GALACTURONICACID, Galactopyranuronic acid, 1,2:3,4-di-O-isopropylidene-, .alpha.-D-, .alpha.-D-Galactopyranuronic acid, 1,2:3,4-bis-O-(1-methylethylidene)-,

Complexity	405
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	274.105g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	274.269g/mol
Monoisotopic Mass	274.105g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

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

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