3-(2-Amino-6-chloro-9H-purin-9-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol,(1R,2R,3S,5S)- rel-

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H14ClN5O3
Molecular Weight	299.714
Optical Activity	( + / - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(2-Amino-6-chloro-9H-purin-9-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol,(1R,2R,3S,5S)- rel-

Structure Search

SMILES

NC1=NC(Cl)=C2N=CN([C@H]3C[C@@H](CO)[C@@H](O)[C@@H]3O)C2=N1

InChI

InChIKey=YPNCGBSKCXEJKT-DGCAKLBHSA-N

InChI=1S/C11H14ClN5O3/c12-9-6-10(16-11(13)15-9)17(3-14-6)5-1-4(2-18)7(19)8(5)20/h3-5,7-8,18-20H,1-2H2,(H2,13,15,16)/t4-,5-,7+,8+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C11H14ClN5O3
Molecular Weight	299.714
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:30:34 GMT 2023` Edited by `admin` on `Sat Dec 16 10:30:34 GMT 2023`
Record UNII	B67PA5AK6S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(2-Amino-6-chloro-9H-purin-9-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol,(1R,2R,3S,5S)- rel-

Systematic Name

English

1,2-CYCLOPENTANEDIOL, 3-(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-5-(HYDROXYMETHYL)-, (1S,2S,3R,5R)-

Systematic Name

English

1,2-Cyclopentanediol, 3-(2-amino-6-chloro-9H-purin-9-yl)-5-(hydroxymethyl)-, (1α,2β,3α,5α)-(±)-

Systematic Name

English

1,2-Cyclopentanediol, 3-(2-amino-6-chloro-9H-purin-9-yl)-5-(hydroxymethyl)-, (1α,2β,3α,5α)-

Systematic Name

English

rel-(1R,2R,3S,5S)-3-(2-Amino-6-chloro-9H-purin-9-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol

Systematic Name

English

1,2-Cyclopentanediol, 3-(2-amino-6-chloro-9H-purin-9-yl)-5-(hydroxymethyl)-, (1R,2R,3S,5S)-rel-

Systematic Name

English

Code System Code Type Description

PUBCHEM

5272149

Created by admin on Sat Dec 16 10:30:34 GMT 2023 , Edited by admin on Sat Dec 16 10:30:34 GMT 2023

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CAS

108742-08-1

Created by admin on Sat Dec 16 10:30:34 GMT 2023 , Edited by admin on Sat Dec 16 10:30:34 GMT 2023

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FDA UNII

B67PA5AK6S

Created by admin on Sat Dec 16 10:30:34 GMT 2023 , Edited by admin on Sat Dec 16 10:30:34 GMT 2023

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EPA CompTox

DTXSID50910862

Created by admin on Sat Dec 16 10:30:34 GMT 2023 , Edited by admin on Sat Dec 16 10:30:34 GMT 2023

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