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Isopentenyl-Adenine-9-glucoside

HCID 11675006
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Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
83087-94-9
Standard SMILES
CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
XEHLLUQVSRLWMH-HDNYONAXSA-N
Molecular formula
C16H23N5O5
Average molar mass
365.38 g/mol
Monoisotopic mass
365.16991885

Overview

Isopentenyl-Adenine-9-glucoside has been reported in Ipomoea batatas with data available.

Names & identifiers

Preferred name
Isopentenyl-Adenine-9-glucoside
IUPAC
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[6-(3-methylbut-2-enylamino)purin-9-yl]oxane-3,4,5-triol
English name
N6-ISOPENTENYLADENINE-9-GLUCOSIDE (iP9G)
Molecular formula
C16H23N5O5
Molecular weight
365.39

Names & synonyms

Isopentenyl-Adenine-9-glucoside83087-94-9(Putative)(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[6-(3-methylbut-2-enylamino)purin-9-yl]oxane-3,4,5-triol(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(6-(3-methylbut-2-enylamino)purin-9-yl)oxane-3,4,5-triolRefChem:14971783087-94-9Isopentenyladenine 9-Glucoside(2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-(6-((3-methylbut-2-en-1-yl)amino)-9H-purin-9-yl)tetrahydro-2H-pyran-3,4,5-triolN6-Isopentenyladenine-9-glucuronideSCHEMBL25170535DTXSID0013456399-beta-d-glucopyranosyl-6-(3-methyl-2-butenylamino)purine
Show more names
N6-Isopentenyl ADENINE-9-GlucosideN6-ISOPENTENYLADENINE-9-GLUCOSIDE (iP9G)9H-Purin-6-amine, 9-β-D-glucopyranosyl-N-(3-methyl-2-butenyl)-

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
146 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
26
Formal charge
0
Complexity
505

Experimental & physicochemical properties

Physical DescriptionSolid

Physicochemical properties

Boiling point
673.6 · 673.6±65.0 °C(Predicted)
Density
1.6 · 1.60±0.1 g/cm3(Predicted)
pka
12.89 · 12.89±0.70(Predicted)

Chemistry & industry

Applications · 1 item

UsesN6-Isopentenyladenine-9-glucuronide can be used in biological study of overexpression of DWARF gene induced alteration in phytohormone homeostasis, development, architecture and carotenoid accumulation in Solanum lycopersicum. It can also be utilized as analyte in analytical study and chemical/engineering process of one-pot preparation of mixed-mode organic-silica hybrid monolithic capillary column and application in determination of endogenous gibberellins in plant tissues.

Suppliers7 total

杭州品高化工有限公司0571-87658025 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
83087-94-9
PubChem CID
11675006
DTXSID
DTXSID001345639
Nikkaji
J657.070D