Bz-RS-ISer (3-Ph) -Ome

CAT: 0957-S9340Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0957-S9340Size:25 mg

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Description

Bz-RS-ISer (3-Ph) -Ome is a chemical.

CAS Number

32981-85-4

Target

Others

Activity

Others

Molecular Formula

C17H17NO4

Storage Conditions

3 years -20°C powder

Chemical Information

Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, methyl ester, (alphaR,betaS)-

Bz-RS-ISer(3-Ph)-Ome is a fatty acid ester.

CAS Number	32981-85-4
PubChem CID	182104
IUPAC Name	methyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate
Molecular Formula	C17H17NO4
Molecular Weight	299.32
XLogP	2
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	373

SMILES

COC(=O)[C@@H]([C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C17H17NO4/c1-22-17(21)15(19)14(12-8-4-2-5-9-12)18-16(20)13-10-6-3-7-11-13/h2-11,14-15,19H,1H3,(H,18,20)/t14-,15+/m0/s1

InChIKey

UYJLJICUXJPKTB-LSDHHAIUSA-N

Chemical Structure

2D Structure

CAS: 32981-85-4

CID: 182104

Formula: C17H17NO4

MW: 299.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.32
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	299.11575802
Monoisotopic Mass	299.11575802
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	373
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes