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Prunasin

CAT: 1410-M31105-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M31105-02Size:5 mg
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Description
Prunasin is a kind of enzyme inhibitors.
CAS Number
99-18-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
295.3
Molecular Formula
C14H17NO6
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Prunasin

(R)-prunasin is a prunasin.

CAS Number99-18-3
PubChem CID119033
IUPAC Name(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
Molecular FormulaC14H17NO6
Molecular Weight295.29
XLogP-0.7
Topological Polar Surface Area123
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity377
SMILES
C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1
InChIKey
ZKSZEJFBGODIJW-GMDXDWKASA-N
Chemical Structure
2D Structure
2D structure of Prunasin
CAS: 99-18-3
CID: 119033
Formula: C14H17NO6
MW: 295.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.29
XLogP3-0.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass295.10558726
Monoisotopic Mass295.10558726
Topological Polar Surface Area123 Ų
Heavy Atom Count21
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
OR1037119Prunasin
TRC-P839000-5MG(R)-Prunasin
AR-P03206-01(R) -Prunasin
TRC-P839005-1MG(S)-Prunasin
XP175789-01S-Prunasin
T125736-01Prunasin acid
FP27250-01R-Prunasin
sc-208376(S) -Prunasin
FP27251-01R-Prunasin tetraacetate
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