L-Leucine-13C6,15N

CAT: 0127-OR1039779Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

202406-52-8

MDL Number

MFCD00144625

Purity

98%

Smiles

[13CH3][13CH]([13CH3])[13CH2][13C@H]([15NH2])[13C](O)=O

Chemical Information

L-Leucine-13C6,15N

CAS Number	202406-52-8
PubChem CID	16217567
IUPAC Name	(2S)-2-(15N)azanyl-4-(113C)methyl(1,2,3,4,5-13C5)pentanoic acid
Molecular Formula	C6H13NO2
Molecular Weight	138.12
XLogP	-1.5
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	101

SMILES

[13CH3][13CH]([13CH3])[13CH2][13C@@H]([13C](=O)O)[15NH2]

InChI

InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1

InChIKey

ROHFNLRQFUQHCH-HUEJSTCGSA-N

Chemical Structure

2D Structure

CAS: 202406-52-8

CID: 16217567

Formula: C6H13NO2

MW: 138.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.12
XLogP3	-1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	138.11179256
Monoisotopic Mass	138.11179256
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	101
Isotope Atom Count	7
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