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DMNB-T6P

CAT: 0013-GTR19236254-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236254-02Size:50 mg
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Description
This synthetic, light-activatable compound releases trehalose-6-phosphate (T6P) to disrupt plant sugar signaling pathways. It is a critical research tool for studying T6P's role in plant biosynthesis, metabolism, and stress responses in both in vivo and in vitro experimental systems.
CAS Number
1404341-58-7
Smiles
C (OP (OCC1=C (N (=O) =O) C=C (OC) C (OC) =C1) (OC[C@H]2O[C@H] (O[C@H]3O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]3O) [C@H] (O) [C@@H] (O) [C@@H]2O) =O) C4=C (N (=O) =O) C=C (OC) C (OC) =C4
Molecular Formula
C30H41N2O22P
Molecular Weight
812.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-O-Bis-(4,5-dimethoxy-2-nitrobenzyloxyphosphoryl)-D-trehalose
CAS Number1404341-58-7
PubChem CID171904658
IUPAC Namebis[(4,5-dimethoxy-2-nitrophenyl)methyl] [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl phosphate
Molecular FormulaC30H41N2O22P
Molecular Weight812.6
XLogP-2.2
Topological Polar Surface Area343
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count22
Rotatable Bond Count16
Heavy Atom Count55
Formal Charge0
Complexity1220
SMILES
COC1=C(C=C(C(=C1)COP(=O)(OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)OCC4=CC(=C(C=C4[N+](=O)[O-])OC)OC)[N+](=O)[O-])OC
InChI
InChI=1S/C30H41N2O22P/c1-45-17-5-13(15(31(40)41)7-19(17)47-3)10-49-55(44,50-11-14-6-18(46-2)20(48-4)8-16(14)32(42)43)51-12-22-24(35)26(37)28(39)30(53-22)54-29-27(38)25(36)23(34)21(9-33)52-29/h5-8,21-30,33-39H,9-12H2,1-4H3/t21-,22-,23-,24-,25+,26+,27-,28-,29-,30-/m1/s1
InChIKey
VBRSKKDKEFXLRX-OTJWROPPSA-N
Chemical Structure
2D Structure
2D structure of 6-O-Bis-(4,5-dimethoxy-2-nitrobenzyloxyphosphoryl)-D-trehalose
CAS: 1404341-58-7
CID: 171904658
Formula: C30H41N2O22P
MW: 812.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight812.6
XLogP3-2.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count22
Rotatable Bond Count16
Exact Mass812.18885794
Monoisotopic Mass812.18885794
Topological Polar Surface Area343 Ų
Heavy Atom Count55
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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