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CAS 183871-36-5 manufacturers and suppliers on PharmaCompass

PharmaCompass
RQTWYDXJQQBAEM-WWGZXINOSA-N
Also known as: 183871-36-5, Yl]hydrazine.l-dbta salt, [(2s,3s)-2-(benzyloxy)pentan-3-, A1-01689
Molecular Formula
C30H34N2O9
Molecular Weight
566.6  g/mol
InChI Key
RQTWYDXJQQBAEM-WWGZXINOSA-N

1 2D Structure

RQTWYDXJQQBAEM-WWGZXINOSA-N

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,3-dibenzoyloxybutanedioic acid;[(2S,3S)-2-phenylmethoxypentan-3-yl]hydrazine
2.1.2 InChI
InChI=1S/C18H14O8.C12H20N2O/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;1-3-12(14-13)10(2)15-9-11-7-5-4-6-8-11/h1-10,13-14H,(H,19,20)(H,21,22);4-8,10,12,14H,3,9,13H2,1-2H3/t;10-,12-/m.0/s1
2.1.3 InChI Key
RQTWYDXJQQBAEM-WWGZXINOSA-N
2.1.4 Canonical SMILES
CCC(C(C)OCC1=CC=CC=C1)NN.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O
2.1.5 Isomeric SMILES
CC[C@@H]([C@H](C)OCC1=CC=CC=C1)NN.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 183871-36-5

2. Yl]hydrazine.l-dbta Salt

3. [(2s,3s)-2-(benzyloxy)pentan-3-

4. A1-01689

2.3 Create Date
2015-09-01
3 Chemical and Physical Properties
Molecular Weight 566.6 g/mol
Molecular Formula C30H34N2O9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Exact Mass566.22643067 g/mol
Monoisotopic Mass566.22643067 g/mol
Topological Polar Surface Area175 Ų
Heavy Atom Count41
Formal Charge0
Complexity641
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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