Taurine-D4

CAT: 1299-RG-A260702-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260702-02Size:25 mg

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

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CAS Number

342611-14-7

Synonyms

Taurine-D4

Molecular Formula

C2H3D4NO3S

Molecular Weight

129.17

Product Name Synonym

Taurine-D4

Chemical Information

2-Amino(~2~H_4_)ethane-1-sulfonic acid

See also: Taurine (annotation moved to); Taurine-1,1,2,2-d4 (annotation moved to).

CAS Number	342611-14-7
PubChem CID	49849888
IUPAC Name	2-amino-1,1,2,2-tetradeuterioethanesulfonic acid
Molecular Formula	C2H7NO3S
Molecular Weight	129.17
XLogP	-4.1
Topological Polar Surface Area	88.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	120

SMILES

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

InChI

InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1D2,2D2

InChIKey

XOAAWQZATWQOTB-LNLMKGTHSA-N

Chemical Structure

2D Structure

CAS: 342611-14-7

CID: 49849888

Formula: C2H7NO3S

MW: 129.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	129.17
XLogP3	-4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	129.03977124
Monoisotopic Mass	129.03977124
Topological Polar Surface Area	88.8 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	120
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-A260458-01	Taurine
RM-C120959-01	Calcipotriol-D4 (Calcipotriene-D4)
RM-T011501-01	Tauroursodeoxycholic Acid-D4 (Tauroursodiol-D4)
RG-A261040-01	2-Quinoxalinecarboxylic Acid-D4 (QCA-D4)
RM-R021339-01	Rebamipide D4
RM-T180109-01	Travoprost-d4
RM-L090301-01	Licarbazepine-D4
RM-L090661-01	Lifitegrast-D4
RM-L151509-01	Linaclotide-D4
RM-V546001-01	Vismodegib-D4