Z-D-Glu-Ome

CAT: 0127-OR1015442-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1015442-01Size:5 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

26566-11-0

MDL Number

MFCD07371875

Purity

98%

Smiles

[H][C@](CCC(O)=O)(NC(=O)OCC1=CC=CC=C1)C(=O)OC

Chemical Information

z-d-Glu-ome

CAS Number	26566-11-0
PubChem CID	6997641
IUPAC Name	(4R)-5-methoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
Molecular Formula	C14H17NO6
Molecular Weight	295.29
XLogP	1.2
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	21
Formal Charge	0
Complexity	364

SMILES

COC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H17NO6/c1-20-13(18)11(7-8-12(16)17)15-14(19)21-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)(H,16,17)/t11-/m1/s1

InChIKey

BGMCTGARFXPQML-LLVKDONJSA-N

Chemical Structure

2D Structure

CAS: 26566-11-0

CID: 6997641

Formula: C14H17NO6

MW: 295.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	295.29
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	295.10558726
Monoisotopic Mass	295.10558726
Topological Polar Surface Area	102 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	364
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes