AG00I4JR

23316-67-8 | D-Allononitrile, 2,5-anhydro-, 3,4,6-tribenzoate

AG00I4JR

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CAS Number	23316-67-8
Catalog Number	AG00I4JR(AGN-PC-0QZNK4)
Chemical Name	D-Allononitrile, 2,5-anhydro-, 3,4,6-tribenzoate
IUPAC Name	[(2R,3R,4S,5S)-3,4-dibenzoyloxy-5-cyanooxolan-2-yl]methyl benzoate
InChI	InChI=1S/C27H21NO7/c28-16-21-23(34-26(30)19-12-6-2-7-13-19)24(35-27(31)20-14-8-3-9-15-20)22(33-21)17-32-25(29)18-10-4-1-5-11-18/h1-15,21-24H,17H2/t21-,22+,23-,24+/m0/s1
InChI Key	OFMYTVNDIRTGMR-UARRHKHWSA-N
MDL Number	MFCD00136146
Molecular Formula	C27H21NO7
Molecular Weight	471.4581
SMILES	N#C[C@@H]1O[C@@H]([C@H]([C@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1
Synonyms	23316-67-8, 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl cyanide, 2,3,5-Tri-O-benzoyl-b-D-ribofuranosyl cyanide, 2,5-Anhydro-3,4,6-tri-O-benzoyl-D-allononitrile, C27H21NO7, AC1MBOPU, PubChem10713, Maybridge4_003285, SCHEMBL7148935, OFMYTVNDIRTGMR-UARRHKHWSA-, OFMYTVNDIRTGMR-UARRHKHWSA-N, HMS1530F07, ZINC8647944, 1537AB, CCG-45629, MCULE-4006565919, NCGC00176008-01, AJ-57821, AX8065190, 2,3,5-Tri-O-benzoyl--D-ribofuranosyl cyanide, 2,3,5-Tri-O-benzoyl-|A-D-ribofuranosyl cyanide, 316T678, D-Allononitrile, 2,5-anhydro-, 3,4,6-tribenzoate, SR-01000635383-1, W-201980, (2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl) cyanide, 2-O,3-O,5-O-Tribenzoyl-beta-D-ribofuranosyl cyanide, BRD-K76011295-001-01-3, [(2R,3R,4S,5S)-3,4-dibenzoyloxy-5-cyanooxolan-2-yl]methyl benzoate, 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl cyanide, purum, >=98.0% (HPLC), (2R,3R,4S,5S)-2-((benzoyloxy)methyl)-5-cyanotetrahydrofuran-3,4-diyl dibenzoate, (2R,3R,4S,5S)-2-(benzoyloxymethyl)-5-cyanotetrahydrofuran-3,4-diyl dibenzoate, InChI=1/C27H21NO7/c28-16-21-23(34-26(30)19-12-6-2-7-13-19)24(35-27(31)20-14-8-3-9-15-20)22(33-21)17-32-25(29)18-10-4-1-5-11-18/h1-15,21-24H,17H2/t21-,22+,23-,24+/m0/s1, NSC285694, CB10834, CID2728914, 2,3,5-tri-O-benzoyl-beta-D-ribofuranosylcyanide,

Complexity	787
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	471.132g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	471.465g/mol
Monoisotopic Mass	471.132g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H312-H332
Packing Group	\N
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

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