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Gibberellin Acid (GA3) -d2

CAT: 1596-AR-G02210-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G02210-01Size:10 Units
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CAS Number
120396-36-3
Molecular Formula
C19H20D2O6
Molecular Weight
348.39
API Name
Gibberellin

Chemical Information

Gibberellic Acid-13C,d2 (90%)
CAS Number120396-36-3
PubChem CID169440939
IUPAC Name(1R,2R,5S,8S,9S,10R,11S,12S)-6-(dideuterio(113C)methylidene)-5,12-dihydroxy-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
Molecular FormulaC19H22O6
Molecular Weight349.4
XLogP0.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity772
SMILES
[2H][13C](=C1C[C@]23C[C@]1(CC[C@H]2[C@]45C=C[C@@H]([C@]([C@H]4[C@@H]3C(=O)O)(C(=O)O5)C)O)O)[2H]
InChI
InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1/i1+1D2
InChIKey
IXORZMNAPKEEDV-FLNSVRPGSA-N
Chemical Structure
2D Structure
2D structure of Gibberellic Acid-13C,d2 (90%)
CAS: 120396-36-3
CID: 169440939
Formula: C19H22O6
MW: 349.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass349.15754674
Monoisotopic Mass349.15754674
Topological Polar Surface Area104 Ų
Heavy Atom Count25
Formal Charge0
Complexity772
Isotope Atom Count3
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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