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D-Homocysteine-d4

CAT: 0572-TRC-H591957-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H591957-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2714414-00-1
Hazard Statement
No Data Available
Smiles
SC([2H])([2H])C([2H])([2H])[C@](N)([H])C(O)=O
Molecular Formula
C4H5D4NO2S
Molecular Weight
139.21
InChI
InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/i1D2,2D2
Additionnal Information
IUPAC name: D-homocysteine-3,3,4,4-d4
Shipping Conditions
Room Temperature

Chemical Information

D-Homocysteine-d4
CAS Number2714414-00-1
PubChem CID171381617
IUPAC Name(2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid
Molecular FormulaC4H9NO2S
Molecular Weight139.21
XLogP-3.4
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity86
SMILES
[2H]C([2H])([C@H](C(=O)O)N)C([2H])([2H])S
InChI
InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1/i1D2,2D2
InChIKey
FFFHZYDWPBMWHY-ADHRGRJKSA-N
Chemical Structure
2D Structure
2D structure of D-Homocysteine-d4
CAS: 2714414-00-1
CID: 171381617
Formula: C4H9NO2S
MW: 139.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.21
XLogP3-3.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass139.06050669
Monoisotopic Mass139.06050669
Topological Polar Surface Area64.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity86.1
Isotope Atom Count4
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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445584-01D-Homocysteine-d4
HY-W010347S-01DL-Homocysteine-d4
HY-W653733-01L-Homocysteine-d4
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HY-101404S-01DL-Homocysteine thiolactone-d4 (hydrochloride)
AR-C03907-01D-Homocysteine Thiolactone
T203631-01L-Homocysteine-d
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