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L-Valine-13C

CAT: 0572-TRC-V943410-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V943410-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81201-85-6
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CC(C)[C@@H]([13C](=O)O)N
Molecular Formula
C413CH11NO2
Molecular Weight
118.14
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

L-Valine-1-13C
CAS Number81201-85-6
PubChem CID11051625
IUPAC Name(2S)-2-amino-3-methyl(113C)butanoic acid
Molecular FormulaC5H11NO2
Molecular Weight118.14
XLogP-2.3
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity90
SMILES
CC(C)[C@@H]([13C](=O)O)N
InChI
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i5+1
InChIKey
KZSNJWFQEVHDMF-TXZHAAMZSA-N
Chemical Structure
2D Structure
2D structure of L-Valine-1-13C
CAS: 81201-85-6
CID: 11051625
Formula: C5H11NO2
MW: 118.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.14
XLogP3-2.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass118.082333429
Monoisotopic Mass118.082333429
Topological Polar Surface Area63.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity90.4
Isotope Atom Count1
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-N0717S4-01L-Valine-1-13C
HY-N0717S5-01L-Valine-2-13C
HY-N0717S7-01L-Valine-1-13C,15N
sc-227944DL-Valine-1-13C
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122001L‐VALINE

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