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Gibberellin A5

CAT: 0572-TRC-G377465-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G377465-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
561-56-8
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
C[C@]12C=CC[C@@]3(OC1=O)[C@@H]4CC[C@]5(O)C[C@]4(CC5=C)[C@H]([C@H]23)C(=O)O
Molecular Formula
C19 H22 O5
Molecular Weight
330.38
InChI
InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Gibberellin A5

Gibberellin A5 is a C19-gibberellin initially identified in Gibberella fujikuroi and differing from gibberellin A1 by the absence of the OH at C-2 and the presence of a double bond between C-3 and C-3 (gibbane numbering). It has a role as a mouse metabolite and a plant metabolite. It is a C19-gibberellin, a lactone and a gibberellin monocarboxylic acid.

CAS Number561-56-8
PubChem CID5281988
IUPAC Name(1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
Molecular FormulaC19H22O5
Molecular Weight330.4
XLogP1.2
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity740
SMILES
C[C@@]12C=CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O
InChI
InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1
InChIKey
ZOWHLBOPCIHIHW-KQBHUUJHSA-N
Chemical Structure
2D Structure
2D structure of Gibberellin A5
CAS: 561-56-8
CID: 5281988
Formula: C19H22O5
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass330.14672380
Monoisotopic Mass330.14672380
Topological Polar Surface Area83.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity740
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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