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S-(3-Hydroxypropyl)-L-cysteine

CAT: 0572-TRC-H952575-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H952575-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13189-98-5
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
N[C@@H](CSCCCO)C(=O)O
Molecular Formula
C6 H13 N O3 S
Molecular Weight
179.24
InChI
InChI=1S/C6H13NO3S/c7-5(6(9)10)4-11-3-1-2-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1
Additionnal Information
IUPAC name: (2R)-2-amino-3-(3-hydroxypropylsulfanyl)propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Fudosteine

Fudosteine is an organic molecular entity.

CAS Number13189-98-5
PubChem CID134669
IUPAC Name(2R)-2-amino-3-(3-hydroxypropylsulfanyl)propanoic acid
Molecular FormulaC6H13NO3S
Molecular Weight179.24
XLogP-3
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity120
SMILES
C(CO)CSC[C@@H](C(=O)O)N
InChI
InChI=1S/C6H13NO3S/c7-5(6(9)10)4-11-3-1-2-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1
InChIKey
KINWYTAUPKOPCQ-YFKPBYRVSA-N
Chemical Structure
2D Structure
2D structure of Fudosteine
CAS: 13189-98-5
CID: 134669
Formula: C6H13NO3S
MW: 179.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.24
XLogP3-3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass179.06161445
Monoisotopic Mass179.06161445
Topological Polar Surface Area109 Ų
Heavy Atom Count11
Formal Charge0
Complexity120
Isotope Atom Count0
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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CS-T-47291N-Acetyl-S- (3-hydroxypropyl) cysteine
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HY-W721117-01N-Acetyl-S- (3-hydroxypropyl-1-methyl) -L-cysteine-d3
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