Furfuryladenosine

HCID 3832

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Basic information

CAS: 4338-47-0
Standard SMILES: OCC1OC(n2cnc3c(NCc4ccco4)ncnc32)C(O)C1O
InChIKey: CAGLGYNQQSIUGX-UHFFFAOYSA-N
Molecular formula: C15H17N5O5
Average molar mass: 347.33 g/mol
Monoisotopic mass: 347.12296866

Overview

See also: Kinetin riboside (annotation moved to).

Names & identifiers

Preferred name: Furfuryladenosine
IUPAC: 2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
English name: KINETIN RIBOSIDE
Molecular formula: C15H17N5O5
Molecular weight: 347.33

Names & synonyms

FurfuryladenosineRiboside, kinetin6-FurfuryladenosineKinetin ribonucleosideADENOSINE, N-FURFURYL-MLS002707095RibosylkinetinAdenosine, N-(2-furanylmethyl)-NSC 120958N6 -Furfuryladenosinekinetin riboside [M+H]+6-Furfurylaminopurin Ribosid

Show more names

Kinetin-9-ribosideN-FurfuryladenosineKINETIN RIBOSIDEn-furfuryl-adenosinKINETIN RIBOSIDE(KR)(-)-KINETIN RIBOSIDE

CHEMBL18115SCHEMBL217034CAGLGYNQQSIUGX-UHFFFAOYSA-NNSC120958AKOS003382320NSC-120958NCGC00094928-01NCGC00094928-02

Database identifiers

CAS: 4338-47-0
PubChem CID: 3832
ChEMBL: CHEMBL18115

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 139 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 9
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 460

Physicochemical properties

Melting point: 152 · 152-154 °C
Boiling point: 683.7 · 683.7±65.0 °C(Predicted)
Density: 1.78 · 1.78±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: DMSO (Slightly), Ethanol (Slightly, Heated, Sonicated), Methanol (Very Slightly,
form: Solid
pka: 13.11 · 13.11±0.70(Predicted)
color: White to Pale Brown
Stability: Hygroscopic
InChI: 1S/C15H17N5O5/c21-5-9-11(22)12(23)15(25-9)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-24-8/h1-3,6-7,9,11-12,15,21-23H,4-5H2,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
InChIKey: RCPMGBAAUYWYDJ-FRJWGUMJSA-N
SMILES: OC[C@H]1O[C@@H](N2C3C(=C(N=CN=3)NCC3=CC=CO3)N=C2)[C@H](O)[C@@H]1O
CAS DataBase Reference: 4338 · 4338-47-0
UNSPSC Code: 12352207 · 12352207
NACRES: 72 · NA.72
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H320-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
RTECS: 7400200 · AU7400200
HS Code: 29349990 · 29349990
Storage Class: 13 · 13 - Non Combustible Solids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
rtecs: AU7400200
hs_code: 29349990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 13 - Non Combustible Solids
Hazard statements: H302-H315-H320-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesKinetin Riboside is used as an anticancer and antiviral agent.

Suppliers82 total

陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Additional notes

DefinitionChEBI: (2R,3R,4S,5R)-2-[6-(2-furanylmethylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol is a purine nucleoside.

Related reactions

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Compound notes

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