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Butanedioicacid, 2,3-bis(benzoyloxy)-, (2R,3R)-(CAS No. 2743-38-6)

Butanedioicacid, 2,3-bis(benzoyloxy)-, (2R,3R)- C18H14O8 (cas 2743-38-6) Molecular Structure

2743-38-6 Structure

Identification and Related Records

【Name】
Butanedioicacid, 2,3-bis(benzoyloxy)-, (2R,3R)-
【CAS Registry number】
2743-38-6
【Synonyms】
Butanedioicacid, 2,3-bis(benzoyloxy)-, [R-(R*,R*)]-
Tartaric acid, dibenzoate (6CI)
Tartaric acid, dibenzoate, (-)- (8CI)
(-)-2,3-Dibenzoyl-L-tartaric acid
(-)-Dibenzoyl-L-tartaric acid
(-)-O,O'-Dibenzoyl-L-tartaric acid
2,3-Bis(benzoyloxy)tartaric acid
(2R,3R)-Di-O-benzoyltartaric acid
(R,R)-O,O'-Dibenzoyltartaric acid
2,3-Di-O-benzoyl-L-tartaric acid
2,3-Dibenzoyl-L-tartaric acid
(-)-Dibenzoyl-L(+)-tartaric acid
L-(-)-Dibenzoyltartaricacid
L-Dibenzoyltartaric acid
O,O'-Dibenzoyl-(2R,3R)-tartaric acid
O2,O3-Dibenzoyl-L-tartaricacid
【EINECS(EC#)】
220-374-0
【Molecular Formula】
C18H14O8 (Products with the same molecular formula)
【Molecular Weight】
358.3
【Inchi】
InChI=1/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m1/s1
【Canonical SMILES】
C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O
【MOL File】
2743-38-6.mol

Chemical and Physical Properties

【Appearance】
Odorless white crystalline powder
【Density】
1.438g/cm3
【Melting Point】
151-154℃
【Boiling Point】
234 °C / 7mmHg
【Vapour】
7.4E-19mmHg at 25°C
【Refractive Index】
-116 ° (C=1, EtOH)
【Flash Point】
221.8°C
【Solubilities】
Slightly soluble
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:358.29896 [g/mol]
Molecular Formula:C18H14O8
XLogP3-AA:2.6
H-Bond Donor:2
H-Bond Acceptor:8
Rotatable Bond Count:9
Exact Mass:358.068867
MonoIsotopic Mass:358.068867
Topological Polar Surface Area:127
Heavy Atom Count:26
Formal Charge:0
Complexity:483
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Feature 3D Anion Count:2
Feature 3D Ring Count:2
Effective Rotor Count:9
Conformer Sampling RMSD:1
CID Conformer Count:104

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36
【Safety Statements 】
S26;S36

Supplier Location

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