Z-Ser (Tos) -OMe

CAT: 0127-OR1062827-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1062827-01Size:250 mg

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CAS Number

1492-52-0

MDL Number

MFCD00237368

Purity

98%

Smiles

O=C(OC)[C@H](COS(=O)(C1=CC=C(C)C=C1)=O)NC(OCC2=CC=CC=C2)=O

Chemical Information

Z-Ser(Tos)-Ome

CAS Number	1492-52-0
PubChem CID	7019803
IUPAC Name	methyl (2S)-3-(4-methylphenyl)sulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate
Molecular Formula	C19H21NO7S
Molecular Weight	407.4
XLogP	2.7
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Heavy Atom Count	28
Formal Charge	0
Complexity	602

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO7S/c1-14-8-10-16(11-9-14)28(23,24)27-13-17(18(21)25-2)20-19(22)26-12-15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3,(H,20,22)/t17-/m0/s1

InChIKey

VHGXRGXCDVQIKS-KRWDZBQOSA-N

Chemical Structure

2D Structure

CAS: 1492-52-0

CID: 7019803

Formula: C19H21NO7S

MW: 407.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	407.4
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	407.10387318
Monoisotopic Mass	407.10387318
Topological Polar Surface Area	116 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	602
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