GGsTop 50mg

CAT: 0628-A20160-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A20160-50Size:50 mg

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CAS Number

926281-37-0

Chemical Information

Methyl Carboxymethylphenyl Aminocarboxypropylphosphonate

Ggstop is an alpha-amino acid.

CAS Number	926281-37-0
PubChem CID	23582776
IUPAC Name	2-amino-4-[[3-(carboxymethyl)phenoxy]-methoxyphosphoryl]butanoic acid
Molecular Formula	C13H18NO7P
Molecular Weight	331.26
XLogP	-2.5
Topological Polar Surface Area	136
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Heavy Atom Count	22
Formal Charge	0
Complexity	442

SMILES

COP(=O)(CCC(C(=O)O)N)OC1=CC=CC(=C1)CC(=O)O

InChI

InChI=1S/C13H18NO7P/c1-20-22(19,6-5-11(14)13(17)18)21-10-4-2-3-9(7-10)8-12(15)16/h2-4,7,11H,5-6,8,14H2,1H3,(H,15,16)(H,17,18)

InChIKey

NTFPDEDRMYYPAC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 926281-37-0

CID: 23582776

Formula: C13H18NO7P

MW: 331.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	331.26
XLogP3	-2.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	331.08208891
Monoisotopic Mass	331.08208891
Topological Polar Surface Area	136 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	442
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
Compound Is Canonicalized	Yes

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