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Karakin

CAT: 0013-GTR19194152Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194152Size:25 mg
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Description
Karakin is a class of synthetic plant growth regulators. These small molecules are utilized in agricultural and plant biology research to study their effects on plant development and stress responses in both in vitro and in vivo experimental systems.
CAS Number
1400-11-9
Smiles
O (C (CCN (=O) =O) =O) [C@H]1[C@H] (OC (CCN (=O) =O) =O) [C@@H] (O) [C@H] (O) [C@@H] (COC (CCN (=O) =O) =O) O1
Molecular Formula
C15H21N3O15
Molecular Weight
483.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)

Karakin is a glycoside.

CAS Number1400-11-9
PubChem CID100274
IUPAC Name[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
Molecular FormulaC15H21N3O15
Molecular Weight483.34
XLogP-2.2
Topological Polar Surface Area266
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count13
Heavy Atom Count33
Formal Charge0
Complexity742
SMILES
C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-])O)O
InChI
InChI=1S/C15H21N3O15/c19-9(1-4-16(24)25)30-7-8-12(22)13(23)14(32-10(20)2-5-17(26)27)15(31-8)33-11(21)3-6-18(28)29/h8,12-15,22-23H,1-7H2/t8-,12-,13+,14-,15+/m1/s1
InChIKey
CNURKUNYCXCBEK-WMNSZERYSA-N
Chemical Structure
2D Structure
2D structure of beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)
CAS: 1400-11-9
CID: 100274
Formula: C15H21N3O15
MW: 483.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.34
XLogP3-2.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count13
Exact Mass483.09726697
Monoisotopic Mass483.09726697
Topological Polar Surface Area266 Ų
Heavy Atom Count33
Formal Charge0
Complexity742
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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