Boc-d-asp (oall) -oh

CAT: 0127-OR961290-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR961290-01Size:1 g

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CAS Number

207120-58-9

MDL Number

MFCD01862278

Purity

95%

Smiles

CC(C)(C)OC(=O)N[C@H](CC(=O)OCC=C)C(O)=O

Chemical Information

Boc-D-asp(oall)-OH

CAS Number	207120-58-9
PubChem CID	10967674
IUPAC Name	(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-prop-2-enoxybutanoic acid
Molecular Formula	C12H19NO6
Molecular Weight	273.28
XLogP	1
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	19
Formal Charge	0
Complexity	358

SMILES

CC(C)(C)OC(=O)N[C@H](CC(=O)OCC=C)C(=O)O

InChI

InChI=1S/C12H19NO6/c1-5-6-18-9(14)7-8(10(15)16)13-11(17)19-12(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,13,17)(H,15,16)/t8-/m1/s1

InChIKey

WZMNSEVEWIDHND-MRVPVSSYSA-N

Chemical Structure

2D Structure

CAS: 207120-58-9

CID: 10967674

Formula: C12H19NO6

MW: 273.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.28
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	273.12123733
Monoisotopic Mass	273.12123733
Topological Polar Surface Area	102 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	358
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