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(R, R) - (+) -Hydrobenzoin

CAT: 0931-T19540-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T19540-01Size:100 mg
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CAS Number
52340-78-0
Target
Others, Endogenous Metabolite
Related Pathways
Others, Metabolism
Bioactivity
(R, R) - (+) -Hydrobenzoin is an organocatalyst.
Smiles
[C@@H]([C@H](O)C1=CC=CC=C1)(O)C2=CC=CC=C2
Molecular Formula
C14H14O2
Molecular Weight
214.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(R,R)-Hydrobenzoin

(R,R)-hydrobenzoin is an ethanediol derivative and a hydrobenzoin.

CAS Number52340-78-0
PubChem CID853019
IUPAC Name(1R,2R)-1,2-diphenylethane-1,2-diol
Molecular FormulaC14H14O2
Molecular Weight214.26
XLogP1.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity171
SMILES
C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)O)O
InChI
InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1
InChIKey
IHPDTPWNFBQHEB-ZIAGYGMSSA-N
Chemical Structure
2D Structure
2D structure of (R,R)-Hydrobenzoin
CAS: 52340-78-0
CID: 853019
Formula: C14H14O2
MW: 214.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight214.26
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass214.099379685
Monoisotopic Mass214.099379685
Topological Polar Surface Area40.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity171
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes