Name: D-(-)-A-4-HYDROXYPHENYLGLYCINE DANE SALT METHYL POTASSIUM
SKU: 69416-61-1

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Basic Information

Molecular Structure:
CAS No.:	69416-61-1
Name:	D-(-)-A-4-HYDROXYPHENYLGLYCINE DANE SALT METHYL POTASSIUM

Formula:	C₁₃H₁₄KNO₅
Molecular Weight:	303.356
Synonyms:	Benzeneaceticacid, 4-hydroxy-a-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]-,monopotassium salt, (R)-;Benzeneacetic acid, 4-hydroxy-a-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]-,monopotassium salt, (aR)- (9CI);
EINECS:	273-992-8
Density:	1.345[at 20℃]
Boiling Point:	476.6oC at 760 mmHg
Flash Point:	242.1oC
Appearance:	white crystalline powder
PSA:	98.69000
LogP:	0.24050

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Specification

The CAS register number of Potassium (R)-(4-hydroxyphenyl)((3-methoxy-1-methyl-3-oxoprop-1-enyl)amino)acetate is 69416-61-1. It also can be called as Benzeneacetic acid,4-hydroxy-a-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-,potassium salt (1:1), (aR)- and the IUPAC name about this chemical is potassium 2-(4-hydroxyphenyl)-2-[[(Z)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate. The molecular formula about this chemical is C₁₃H₁₄KNO₅and the molecular weight is 303.35. It belongs to the Pharmaceutical Intermediates. This chemical can be obtained through salt and condensationthe by L-hydroxyphenylglycine, potassium hydroxide and methyl acetoacetate. In addition, this chemical can be used as intermediates of amoxicillin, hydroxyl Piperacillin, cefadroxil, ceftazidime oxygen yl benzyl piperazine hydroxyl and other semi-synthetic antibiotics.

Physical properties about Potassium (R)-(4-hydroxyphenyl)((3-methoxy-1-methyl-3-oxoprop-1-enyl)amino)acetate are: (1)#H bond acceptors: 6; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 98.69Å²; (5)H-Bond Donor: 2; (6)H-Bond Acceptor: 6; (7)Rotatable Bond Count: 6; (8)Tautomer Count: 6; (9)Exact Mass: 303.050904; (10)MonoIsotopic Mass: 303.050904; (11)Topological Polar Surface Area: 98.7; (12)Heavy Atom Count: 20; (13)Complexity: 364; (14)Undefined Atom StereoCenter Count: 1; (15)Defined Bond StereoCenter Count: 1; (16)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)SMILES: [K+].Oc1ccc(cc1)[C@H](NC(\C)=C\C(=O)OC)C([O-])=O
(2)InChI: InChI=1/C13H15NO5.K/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-7,12,14-15H,1-2H3,(H,17,18);/q;+1/p-1/b8-7+;/t12-;/m0./s1
(3)InChIKey: HFDVONAPNRXRSV-STYBJNCCBT
(4)Std. InChI: InChI=1S/C13H15NO5.K/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-7,12,14-15H,1-2H3,(H,17,18);/q;+1/p-1/b8-7+;/t12-;/m0./s1
(5)Std. InChIKey: HFDVONAPNRXRSV-WBYOOCJNSA-M