L-Threonine-2,3-d2

CAT: 1596-AR-T04981-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T04981-01Size:10 Units

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CAS Number

1202936-45-5

Molecular Formula

C4H7D2NO3

Molecular Weight

121.13

API Name

Threonine

Chemical Information

L-Threonine-2,3-D2

CAS Number	1202936-45-5
PubChem CID	89944556
IUPAC Name	(2S,3R)-2-amino-2,3-dideuterio-3-hydroxybutanoic acid
Molecular Formula	C4H9NO3
Molecular Weight	121.13
XLogP	-2.9
Topological Polar Surface Area	83.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	93

SMILES

[2H][C@@](C)([C@@]([2H])(C(=O)O)N)O

InChI

InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1/i2D,3D

InChIKey

AYFVYJQAPQTCCC-JZFQEKCDSA-N

Chemical Structure

2D Structure

CAS: 1202936-45-5

CID: 89944556

Formula: C4H9NO3

MW: 121.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	121.13
XLogP3	-2.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	121.070796641
Monoisotopic Mass	121.070796641
Topological Polar Surface Area	83.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	93.3
Isotope Atom Count	2
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

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