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33156-15-9 molecular structure
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(2R,3S,4R,5R)-2-(hydroxymethyl)-5-{6-[(3-methylbut-2-en-1-yl)amino]-9H-purin-9-yl}oxolane-3,4-diol

ChemBase ID: 105928
Molecular Formular: C15H21N5O4
Molecular Mass: 335.35834
Monoisotopic Mass: 335.15935418
SMILES and InChIs

SMILES:
n1c2c(ncnc2NCC=C(C)C)n(c1)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)CO
Canonical SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCC=C(C)C
InChI:
InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
InChIKey:
USVMJSALORZVDV-SDBHATRESA-N

Cite this record

CBID:105928 http://www.chembase.cn/molecule-105928.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-{6-[(3-methylbut-2-en-1-yl)amino]-9H-purin-9-yl}oxolane-3,4-diol
IUPAC Traditional name
isopentenyladenosine
Synonyms
2iP Riboside
6-(3,3-Dimethylallylamino)purine riboside
N6-(γ,γ-Dimethylallyl)adenosine
N6-(2-Isopentenyl)adenosine
N6-(Δ2-Isopentenyl)adenosine
6-(γ,γ-DIMETHYLALLYLAMINO) PURINE RIBOSIDE
6-(γ,γ-Dimethylallylamino)purine riboside
6-(3,3-二甲基烯丙基氨基)嘌呤核苷
N6-(γ,γ-二甲基烯丙基)腺苷
N6-(2-异戊烯基)腺苷
利波腺苷
6-(γ,γ-二甲基烯丙基氨基)嘌呤核苷
CAS Number
33156-15-9
7724-76-7
EC Number
231-771-3
MDL Number
MFCD00005741
PubChem SID
24894095
162092682
PubChem CID
24405

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24405 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.45397  H Acceptors
H Donor LogD (pH = 5.5) -0.513864 
LogD (pH = 7.4) -0.4292136  Log P -0.4280137 
Molar Refractivity 87.8072 cm3 Polarizability 33.413445 Å3
Polar Surface Area 125.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
0°C expand Show data source
RTECS
AU7404910 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C15H21N5O4 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02195143 external link
Crystalline
A cytokinin, natural component of certain tRNA's, possessing antitumor and immunosuppressant activity.
Sigma Aldrich - D7036 external link
Linkage
Similar to D 7257, but produced by Sigma.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Plant Physiol. , 50 : 616 (1972).
  • • Biochim. Biophys. Acta , 281 : 488 (1972).
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PATENTS

PATENTS

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INTERNET

INTERNET

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