AG00BXSO

4136-22-5 | (-)-Dibenzyl D-Tartrate

AG00BXSO

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CAS Number	4136-22-5
Catalog Number	AG00BXSO(AGN-PC-0OABCF)
Chemical Name	(-)-Dibenzyl D-Tartrate
IUPAC Name	dibenzyl (2S,3S)-2,3-dihydroxybutanedioate
InChI	InChI=1S/C18H18O6/c19-15(17(21)23-11-13-7-3-1-4-8-13)16(20)18(22)24-12-14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2/t15-,16-/m0/s1
InChI Key	LCKIPSGLXMCAOF-HOTGVXAUSA-N
MDL Number	MFCD01863133
Molecular Formula	C18H18O6
Molecular Weight	330.3319
SMILES	O=C(OCC1=CC=CC=C1)[C@@H](O)[C@H](O)C(OCC2=CC=CC=C2)=O
Synonyms	4136-22-5, (2S,3S)-Dibenzyl 2,3-dihydroxysuccinate, (-)-DIBENZYL D-TARTRATE, ()-Dibenzyl D-tartrate, (a")-Dibenzyl-D-tartrate, D-(-)-Dibenzyl Tartrate, D-Tartaric acid dibenzyl ester, SCHEMBL6575848, CTK4I4744, DTXSID30426597, ACT06710, KS-000019UX, ZINC2386959, ANW-44515, MFCD01863133, CS-W011963, FCH3673007, AJ-35407, AK-93421, AS-20132, AX8033637, ST2402262, TC-133260, FT-0652318, ST50320104, Z6151, 136D225, I14-6993, diphenylmethyl (2S,3S)-2,3-dihydroxybutane-1,4-dioate, (-)-Dibenzyl D-tartrate, >=98.0% (sum of enantiomers, HPLC), Butanedioic acid,2,3-dihydroxy-, 1,4-bis(phenylmethyl) ester, (2S,3S)-, C18H18O6, ZINC02386959, CB12095, CID7010050, (2S,3S)-Dibenzyl2,3-dihydroxysuccinate,

Complexity	360
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	330.11g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	330.336g/mol
Monoisotopic Mass	330.11g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	93.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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