H-D-Thr (tBu) -OH

CAT: 0127-OR1053573-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1053573-01Size:1 g

Selected

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

Quick Request Actions

CAS Number

201274-81-9

MDL Number

MFCD00171400

Purity

95%

Smiles

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

Chemical Information

H-D-Thr(tbu)-OH

CAS Number	201274-81-9
PubChem CID	22820637
IUPAC Name	(2R,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid
Molecular Formula	C8H17NO3
Molecular Weight	175.23
XLogP	-2.1
Topological Polar Surface Area	72.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	162

SMILES

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

InChI

InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m0/s1

InChIKey

NMJINEMBBQVPGY-NTSWFWBYSA-N

Chemical Structure

2D Structure

CAS: 201274-81-9

CID: 22820637

Formula: C8H17NO3

MW: 175.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	175.23
XLogP3	-2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	175.12084340
Monoisotopic Mass	175.12084340
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	162
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